Success!
Failed to copy.
5-Azacytidine
320-67-2 | DTXSID9020116
Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID9020116'.

Wikipedia

Intrinsic Properties
Molecular Formula: C8H12N4O5
Average Mass: 244.207 g/mol
Monoisotopic Mass: 244.080770 g/mol
Structural Identifiers
IUPAC Name: 4-Amino-1-beta-D-ribofuranosyl-1,3,5-triazin-2(1H)-one
SMILES: NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI String: InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
Presence in Lists

Record Information
Citation
U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID9020116 (accessed April 22, 2018), 5-Azacytidine
Data Quality
Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers
Level 2:Expert curated, unique chemical identifiers using multiple sources
Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem
Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem
Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source
Quality Control Notes
No Quality Control Notes.
Property |
Average |
Median |
Range |
Unit |
|||
---|---|---|---|---|---|---|---|
Experimental |
Predicted |
Experimental |
Predicted |
Experimental |
Predicted |
||
LogP: Octanol-Water |
-2.17 (1) |
-2.50 (5) |
- |
-2.26 |
-2.17 |
-3.83 to -1.99 |
- |
Water Solubility |
- |
1.39 (4) |
- |
3.11e-01 |
- |
3.55e-02 to 4.90 |
mol/L |
Density |
- |
2.14 (2) |
- |
2.14 |
- |
2.09 to 2.20 |
g/cm^3 |
Flash Point |
- |
279 (2) |
- |
279 |
- |
277 to 281 |
°C |
Melting Point |
229 (2) |
216 (4) |
229 |
220 |
229 |
192 to 230 |
°C |
Boiling Point |
- |
400 (4) |
- |
383 |
- |
300 to 534 |
°C |
Surface Tension |
- |
107 (1) |
- | - | - | - |
dyn/cm |
Vapor Pressure |
- |
5.34e-08 (4) |
- |
1.12e-10 |
- |
1.18e-13 to 2.13e-07 |
mmHg |
LogKoa: Octanol-Air |
- |
8.63 (1) |
- | - | - | - | - |
Henry's Law |
- |
1.23e-10 (1) |
- | - | - | - |
atm-m3/mole |
Index of Refraction |
- |
1.82 (1) |
- | - | - | - | - |
Molar Refractivity |
- |
51.1 (1) |
- | - | - | - |
cm^3 |
Molar Volume |
- |
117 (1) |
- | - | - | - |
cm^3 |
Polarizability |
- |
20.3 (1) |
- | - | - | - |
Å^3 |
LogP: Octanol-Water |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental |
-2.17 (1) |
- |
-2.17 |
Predicted |
-2.50 (5) |
-2.26 |
-3.83 to -1.99 |
Experimental | ||||
---|---|---|---|---|
Source |
Result |
|||
PhysPropNCCT |
-2.17 |
|||
Predicted | ||||
Source |
Result |
Calculation Details |
QMRF |
|
EPISUITE |
-3.83 |
Not Available |
Not Available |
|
NICEATM |
-2.26 |
Not Available |
Available |
|
ACD/Labs Consensus |
-2.30 |
Not Available |
Not Available |
|
ACD/Labs |
-1.99 |
Not Available |
Not Available |
|
OPERA |
-2.11 |
OPERA Model Report |
Available |
Water Solubility |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.39 (4) |
3.11e-01 |
3.55e-02 to 4.90 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
EPISUITE |
3.64e-01 mol/L |
Not Available |
Not Available |
|
NICEATM |
4.90 mol/L |
Not Available |
Available |
|
TEST |
3.55e-02 mol/L |
TEST Report |
Not Available |
|
OPERA |
2.58e-01 mol/L |
OPERA Model Report |
Available |
Density |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
2.14 (2) |
2.14 |
2.09 to 2.20 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
2.09 g/cm^3 |
Not Available |
Not Available |
|
TEST |
2.20 g/cm^3 |
TEST Report |
Not Available |
Flash Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
279 (2) |
279 |
277 to 281 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
277 °C |
Not Available |
Not Available |
|
TEST |
281 °C |
TEST Report |
Not Available |
Melting Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental |
229 (2) |
229 |
229 |
Predicted |
216 (4) |
220 |
192 to 230 |
Experimental | ||||
---|---|---|---|---|
Source |
Result |
|||
Jean-Claude Bradley Open Melting Point Dataset |
229 °C |
|||
PhysPropNCCT |
229 °C |
|||
Predicted | ||||
Source |
Result |
Calculation Details |
QMRF |
|
EPISUITE |
192 °C |
Not Available |
Not Available |
|
NICEATM |
211 °C |
Not Available |
Available |
|
TEST |
230 °C |
TEST Report |
Not Available |
|
OPERA |
229 °C |
OPERA Model Report |
Available |
Boiling Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
400 (4) |
383 |
300 to 534 |
Surface Tension |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
107 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
107 dyn/cm |
Not Available |
Not Available |
Vapor Pressure |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
5.34e-08 (4) |
1.12e-10 |
1.18e-13 to 2.13e-07 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
NICEATM |
2.64e-11 mmHg |
Not Available |
Available |
|
ACD/Labs |
1.18e-13 mmHg |
Not Available |
Not Available |
|
TEST |
2.13e-07 mmHg |
TEST Report |
Not Available |
|
OPERA |
1.98e-10 mmHg |
OPERA Model Report |
Available |
LogKoa: Octanol-Air |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
8.63 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
8.63 |
OPERA Model Report |
Available |
Henry's Law |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.23e-10 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
1.23e-10 atm-m3/mole |
OPERA Model Report |
Available |
Index of Refraction |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.82 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
1.82 |
Not Available |
Not Available |
Molar Refractivity |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
51.1 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
51.1 cm^3 |
Not Available |
Not Available |
Molar Volume |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
117 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
117 cm^3 |
Not Available |
Not Available |
Polarizability |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
20.3 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
20.3 Å^3 |
Not Available |
Not Available |
Property |
Average |
Median |
Range |
Unit |
|||
---|---|---|---|---|---|---|---|
Experimental |
Predicted |
Experimental |
Predicted |
Experimental |
Predicted |
||
Soil Adsorp. Coeff. |
- |
60.4 (1) |
- | - | - | - |
L/kg |
Atmos. Hydroxylation Rate |
- |
1.41e-11 (1) |
- | - | - | - |
cm3/molecule*sec |
Biodeg. Half-Life |
- |
3.34 (1) |
- | - | - | - |
days |
Fish Biotrans. Half-Life (Km) |
- |
2.43e-01 (1) |
- | - | - | - |
days |
Bioconcentration Factor |
- |
6.28e-01 (3) |
- |
1.13e-01 |
- |
9.67e-03 to 1.76 |
- |
Soil Adsorp. Coeff. |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
60.4 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
60.4 L/kg |
OPERA Model Report |
Available |
Atmos. Hydroxylation Rate |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.41e-11 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
1.41e-11 cm3/molecule*sec |
OPERA Model Report |
Available |
Biodeg. Half-Life |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
3.34 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
3.34 days |
OPERA Model Report |
Available |
Fish Biotrans. Half-Life (Km) |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
2.43e-01 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
2.43e-01 days |
OPERA Model Report |
Available |
Bioconcentration Factor |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
6.28e-01 (3) |
1.13e-01 |
9.67e-03 to 1.76 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
NICEATM |
9.67e-03 |
Not Available |
Available |
|
TEST |
1.13e-01 |
TEST Report |
Not Available |
|
OPERA |
1.76 |
OPERA Model Report |
Available |

Found 28 synonyms
- Legend:
- Valid Synonyms
- Good Synonyms
- Other Synonyms
5-Azacytidine |
4-Amino-1-beta-D-ribofuranosyl-1,3,5-triazin-2(1H)-one |
1,3,5-Triazin-2(1H)-one, 4-amino-1-beta-D-ribofuranosyl- |
320-67-2 Active CAS-RN |
5AzaC |
1,3,5-Triazin-2(1H)-one, 4-amino-1-β-D-ribofuranosyl- |
2-(β-D-ribofurannosyl)-4-amino-1,3,5-triazine-2-one |
2-(β-D-ribofuranosil)-4-amino-1,3,5-triazin-2-ona |
2-(β-D-Ribofuranosyl)-4-amino-1,3,5-triazin-2-on |
2-(β-D-ribofuranosyl)-4-amino-1,3,5-triazin-2-one |
Antibiotic U 18496 |
Azacitidine |
Azacytidine |
Ladakamycin |
Ledakamycin |
Mylosar |
NSC 102816 |
NSC 103-627 |
s-Triazin-2(1H)-one, 4-amino-1-β-D-ribofuranosyl- |
4-Amino-1-beta-D-ribofuranosyl-1,3,5-traizin-2(1H)-one |
4-Amino-1-beta-D-ribofuranosyl-s-triazin-2(1H)-one |
BRN 0620461 |
EINECS 206-280-2 |
NCI-C01569 |
NSC-102816 |
Azacitidina |
Azacitidinum |
UNII-M801H13NRU FDA Registry Number |




National Health and Nutrition Examination Survey (NHANES) Inferences
There is no exposure monitoring data available.
Download as:
3664th highest exposure
Exposure Predictions (mg/kg-bw/day)
Median |
95th Percentile |
|
---|---|---|
Ages 6-11 |
2.42e-07 |
2.02e-05 |
Ages 12-19 |
1.98e-07 |
1.30e-05 |
Ages 20-65 |
1.83e-07 |
1.31e-05 |
Ages 65+ |
1.49e-07 |
1.39e-05 |
1.49e-07 |
9.20e-06 |
|
1.32e-07 |
1.42e-05 |
|
Repro. Age Females |
1.81e-07 |
1.11e-05 |
Females |
1.52e-07 |
1.29e-05 |
Males |
1.24e-07 |
8.34e-06 |
Total |
1.91e-07 |
1.33e-05 |

PubChem Articles
PubChem Patents

Searched with a similarity threshold of 0.8
