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Adenosine
58-61-7 | DTXSID1022558

Searched by Approved Name: Found 1 result for 'Adenosine'.

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Wikipedia
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Intrinsic Properties

Molecular Formula: C10H13N5O4

Average Mass: 267.245 g/mol

Monoisotopic Mass: 267.096754 g/mol

Structural Identifiers

IUPAC Name: Adenosine

SMILES: NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI String: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID1022558 (accessed April 24, 2018), Adenosine

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

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-1.05 (1)

-1.20 (5)

-

-1.04

-1.05

-1.57 to -0.985

-

Water Solubility

-

6.10e-02 (4)

-

5.31e-02

-

1.38e-02 to 1.24e-01

mol/L

Density

-

2.00 (2)

-

2.00

-

1.92 to 2.09

g/cm^3

Flash Point

-

356 (2)

-

356

-

350 to 363

°C

Melting Point

237 (9)

234 (4)

235

233

234 to 246

229 to 239

°C

Boiling Point

-

462 (5)

-

458

-

301 to 676

°C

Surface Tension

-

108 (1)

- - - -

dyn/cm

Vapor Pressure

-

1.04e-09 (4)

-

6.89e-10

-

0.0 to 2.80e-09

mmHg

LogKoa: Octanol-Air

-

9.40 (1)

- - - - -

Henry's Law

-

2.43e-09 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.91 (1)

- - - - -

Molar Refractivity

-

60.0 (1)

- - - -

cm^3

Molar Volume

-

128 (1)

- - - -

cm^3

Polarizability

-

23.8 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

-1.05 (1)

-

-1.05

Predicted

-1.20 (5)

-1.04

-1.57 to -0.985

Experimental

Source

Result

PhysPropNCCT

-1.05

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-1.38

Not Available

Not Available

NICEATM

-1.57

Not Available

Available

ACD/Labs Consensus

-0.985

Not Available

Not Available

ACD/Labs

-1.03

Not Available

Not Available

OPERA

-1.04

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

6.10e-02 (4)

5.31e-02

1.38e-02 to 1.24e-01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.08e-02 mol/L

Not Available

Not Available

NICEATM

1.38e-02 mol/L

Not Available

Available

OPERA

7.53e-02 mol/L

OPERA Model Report

Available

TEST

1.24e-01 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

2.00 (2)

2.00

1.92 to 2.09

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

2.09 g/cm^3

Not Available

Not Available

TEST

1.92 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

356 (2)

356

350 to 363

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

363 °C

Not Available

Not Available

TEST

350 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

237 (9)

235

234 to 246

Predicted

234 (4)

233

229 to 239

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

462 (5)

458

301 to 676

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

537 °C

Not Available

Not Available

NICEATM

301 °C

Not Available

Available

ACD/Labs

676 °C

Not Available

Not Available

TEST

458 °C

TEST Report

Not Available

OPERA

337 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

108 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

108 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.04e-09 (4)

6.89e-10

0.0 to 2.80e-09

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.42e-13 mmHg

Not Available

Available

ACD/Labs

0.0 mmHg

Not Available

Not Available

TEST

1.38e-09 mmHg

TEST Report

Not Available

OPERA

2.80e-09 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.40 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.40

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.43e-09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.43e-09 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.91 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.91

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

60.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

60.0 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

128 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

128 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

23.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

23.8 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

56.2 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.42e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.34 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.99e-01 (1)

- - - -

days

Bioconcentration Factor

-

4.30 (3)

-

1.77

-

6.81e-01 to 10.5

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

56.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

56.2 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.42e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.42e-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

2.99e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.99e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

4.30 (3)

1.77

6.81e-01 to 10.5

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

10.5

Not Available

Available

TEST

6.81e-01

TEST Report

Not Available

OPERA

1.77

OPERA Model Report

Available

Found 68 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Adenosine
58-61-7 Active CAS-RN
(-)-Adenosine
9H-Purin-6-amine, 9-β-D-ribofuranosyl-
9-β-D-Ribofuranosyl-9H-purin-6-amine
9-β-D-Ribofuranosyladenine
Adenine riboside
Adenocard
Adenocor
Adenoscan
Adenosin
adenosina
Adrekar
Boniton
D-Adenosine
NSC 7652
Nucleocardyl
Riboadenosine
Sandesin
β-Adenosine
β-D-Adenosine
β-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-
β-D-Ribofuranoside, adenine-9
Caswell No. 010B
EINECS 200-389-9
9H-Purin-6-amine, 9beta-D-ribofuranosyl-
beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-
beta-D-Ribofuranoside, adenine-9
NSC 627048
UNII-K72T3FS567 FDA Registry Number
(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol
(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
1-(6-Amino-9H-purin-9-yl)-1-deoxy-beta-D-Ribofuranose
1-(6-Amino-9H-purin-9-yl)-1-deoxy-beta-delta-Ribofuranose
6-Amino-9-beta-D-ribofuranosyl-9H-purine
6-Amino-9beta-D-ribofuranosyl-9H-purine
6-Amino-9beta-delta-ribofuranosyl-9H-purine
9-beta-D-Arabinofuranosyladenine
9-beta-D-Ribofuranosidoadenine
9-beta-D-Ribofuranosyl-9H-purin-6-amine
9-beta-D-Ribofuranosyladenine
9-beta-delta-Arabinofuranosyladenine
9-beta-delta-Ribofuranosidoadenine
9-beta-delta-Ribofuranosyl-9H-purin-6-amine
9-beta-delta-Ribofuranosyladenine
9beta-D-Ribofuranosyladenine
9beta-D-ribofuranosyl-9H-Purin-6-amine
9beta-delta-Ribofuranosyladenine
9beta-delta-ribofuranosyl-9H-Purin-6-amine
Ade-Rib
Adenine Deoxyribonucleoside
Adenine nucleoside
Adenine-9beta-D-Ribofuranoside
Adenine-9beta-delta-Ribofuranoside
Adenyldeoxyriboside
Ado
Deoxyadenosine
Desoxyadenosine
Myocol
b-D-Adenosine
beta-Adenosine
beta-D-Adenosine
beta-delta-Adenosine
46946-45-6 Deleted CAS-RN
46969-16-8 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

662nd highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.38e-06

1.69e-04

Ages 12-19

1.57e-06

1.23e-04

Ages 20-65

1.92e-06

1.87e-04

Ages 65+

1.59e-06

1.66e-04

BMI > 30

1.27e-06

9.42e-05

BMI < 30

1.41e-06

1.06e-04

Repro. Age Females

2.69e-06

2.54e-04

Females

2.15e-06

1.90e-04

Males

9.80e-07

7.83e-05

Total

1.64e-06

1.12e-04

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Executive Summary

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