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alpha-Glycerophosphoric acid
57-03-4 | DTXSID6023105

Searched by Expert Validated Synonym: Found 1 result for 'DL-alpha-Glycerophosphoric acid'.

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Intrinsic Properties

Molecular Formula: C3H9O6P

Average Mass: 172.073 g/mol

Monoisotopic Mass: 172.013675 g/mol

Structural Identifiers

IUPAC Name: 2,3-Dihydroxypropyl dihydrogen phosphate

SMILES: OCC(O)COP(O)(O)=O

InChI String: InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)

InChIKey: AWUCVROLDVIAJX-UHFFFAOYSA-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/DTXSID6023105 (accessed April 24, 2018), alpha-Glycerophosphoric acid

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

-

-2.41 (5)

-

-2.31

-

-2.84 to -1.93

-

Water Solubility

5.81 (1)

19.4 (3)

-

4.47

5.81

3.51 to 50.3

mol/L

Density

-

1.67 (2)

-

1.67

-

1.61 to 1.74

g/cm^3

Flash Point

-

238 (2)

-

238

-

228 to 247

°C

Melting Point

-25.0 (2)

58.4 (4)

-25.0

47.2

-25.0

6.56 to 133

°C

Boiling Point

-

361 (5)

-

333

-

288 to 486

°C

Surface Tension

-

93.3 (1)

- - - -

dyn/cm

Vapor Pressure

-

3.58e-05 (3)

-

1.16e-09

-

1.83e-11 to 1.07e-04

mmHg

LogKoa: Octanol-Air

-

8.18 (1)

- - - - -

Henry's Law

-

3.32e-11 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.53 (1)

- - - - -

Molar Refractivity

-

30.7 (1)

- - - -

cm^3

Molar Volume

-

99.0 (1)

- - - -

cm^3

Polarizability

-

12.2 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-2.41 (5)

-2.31

-2.84 to -1.93

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-1.93

Not Available

Not Available

NICEATM

-2.22

Not Available

Available

ACD/Labs Consensus

-2.76

Not Available

Not Available

ACD/Labs

-2.84

Not Available

Not Available

OPERA

-2.31

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

5.81 (1)

-

5.81

Predicted

19.4 (3)

4.47

3.51 to 50.3

Experimental

Source

Result

PhysPropNCCT

5.81 mol/L

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

50.3 mol/L

Not Available

Available

OPERA

3.51 mol/L

OPERA Model Report

Available

TEST

4.47 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.67 (2)

1.67

1.61 to 1.74

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.74 g/cm^3

Not Available

Not Available

TEST

1.61 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

238 (2)

238

228 to 247

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

247 °C

Not Available

Not Available

TEST

228 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

-25.0 (2)

-25.0

-25.0

Predicted

58.4 (4)

47.2

6.56 to 133

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

-25.0 °C

PhysPropNCCT

-25.0 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

83.3 °C

Not Available

Not Available

NICEATM

11.1 °C

Not Available

Available

TEST

133 °C

TEST Report

Not Available

OPERA

6.56 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

361 (5)

333

288 to 486

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

380 °C

Not Available

Not Available

NICEATM

333 °C

Not Available

Available

ACD/Labs

486 °C

Not Available

Not Available

TEST

288 °C

TEST Report

Not Available

OPERA

318 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

93.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

93.3 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

3.58e-05 (3)

1.16e-09

1.83e-11 to 1.07e-04

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.07e-04 mmHg

Not Available

Available

ACD/Labs

1.83e-11 mmHg

Not Available

Not Available

OPERA

1.16e-09 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.18 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.18

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

3.32e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.32e-11 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.53 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.53

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

30.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

30.7 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

99.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

99.0 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

12.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

12.2 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

186 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

3.39e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.14 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

8.81e-02 (1)

- - - -

days

Bioconcentration Factor

-

1.20 (3)

-

4.35e-01

-

6.24e-02 to 3.10

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

186 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

186 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

3.39e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.39e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.14 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.14 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

8.81e-02 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.81e-02 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.20 (3)

4.35e-01

6.24e-02 to 3.10

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.35e-01

Not Available

Available

TEST

6.24e-02

TEST Report

Not Available

OPERA

3.10

OPERA Model Report

Available

Found 64 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
alpha-Glycerophosphoric acid
2,3-Dihydroxypropyl dihydrogen phosphate
1,2,3-Propanetriol, 1-(dihydrogen phosphate)
57-03-4 Active CAS-RN
Glycerophosphoric acid I
DL-alpha-Glycerophosphoric acid
1,2,3-Propanetriol, 1-(dihydrogen phosphate)
1-Glycerophosphate
1-Glycerophosphoric acid
2,3-hydroxy-1-propyl dihydrogen phosphate
2,3-Hydroxy-1-propyldihydrogenphosphat
3-Glycerophosphate
dihidrogenofosfato de 2,3-hidroxi-1-propilo
Dihydrogen α-glycerophosphate
Dihydrogenophosphate de 2,3-hydroxy-1-propyle
DL-Glycerol 1-phosphate
DL-Glycerol 3-phosphate
DL-alpha-Glycerol phosphate
DL-alpha-Glycerophosphate
DL-alpha-Glyceryl phosphate
Glycerol 1-phosphate
Glycerol 3-phosphate
Glycerol mono(dihydrogen phosphate)
Glycerol alpha-phosphate
Glycerol, 1-(dihydrogen phosphate)
Glycerophosphoric acid
Glyceryl phosphate
NSC 9231
alpha-Glycerophosphate
alpha-Glycerophosphoric acid
alpha-Phosphoglycerol
EINECS 200-307-1
UNII-9NTI6P3O4X FDA Registry Number
1-(Dihydrogen phosphate) Glycerol
1-Glycerophosphorate
1-phosphoglycerol
2,3-dihydroxypropyl dihydrogen phosphate
D,L-alpha-glycerol-phosphate
DL-Glyceryl 1-phosphate
DL-a-Glycerol phosphate
DL-a-Glycerophosphate
DL-a-Glycerophosphorate
DL-a-Glycerophosphoric acid
DL-a-Glyceryl phosphate
DL-alpha-Glycerophosphorate
DL-alpha-Glyceryl phosphate
Dihydrogen a-glycerophosphate
Glycerol a-phosphate
Glycerol monophosphate
Glycerophosphate
Glycerophosphorate
Glycerophosphoric acid
PG
Sn-Gro-1-P
Sn-glycerol 3-phosphate
[(2R)-2,3-dihydroxypropoxy]phosphonic acid
a-Glycerophosphate
a-Glycerophosphorate
a-Glycerophosphoric acid
a-Phosphoglycerol
alpha-Glycerophosphorate
rac-Glycerol 1-phosphate
1509-81-5 Deleted CAS-RN
626-73-3 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

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Executive Summary

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