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1,3-Bisphosphoglycerate

1,3-Bisphosphoglycerate structure

CAS No:
1981-49-3
Formula:
C3H8O10P2
Chemical Name:
1,3-Bisphosphoglycerate
Synonyms:
Propanoic acid,2-hydroxy-3-(phosphonooxy)-,anhydride with phosphoric acid (1:1);Glyceric acid,monoanhydride with phosphoric acid,3-(dihydrogen phosphate);Propanoic acid,2-hydroxy-3-(phosphonooxy)-,1-monoanhydride with phosphoric acid;Glyceric acid,anhydride with H3PO4,3-phosphate;Glyceric acid,3-phosphate,anhydride with H3PO4;Phosphoric acid,monoanhydride with glyceric acid 3-(dihydrogen phosphate);1,3-Diphosphoglyceric acid;1,3-Diphosphoglycerate;3-Phosphoglyceroyl phosphate;1,3-Bisphosphoglycerate;1,3-Bisphosphoglyceric acid;DPG;1,3-biphosphoglycerate;[[2-Hydroxy-3-(phosphonooxy)propanoyl]oxy]phosphonic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Glyceric acid 1,3-biphosphate is an acyclic mixed acid anhydride.

1,3-Bisphosphoglycerate Basic Attributes

Molecular Weight：

266.03700

Exact Mass：

266.04

Characteristics

PSA：

190.44000

XLogP3：

-1.90750

Density：

2.143g/cm3

Boiling Point：

638.7ºC

Flash Point：

340ºC

Refractive Index：

1.572

Vapor Pressure：

5.32E-19mmHg at 25°C

Drug Information

MeSH Entry Terms：

1,3-biphosphoglycerate

Computed Properties

Molecular Weight:266.04
XLogP3:-3.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:265.95927044
Monoisotopic Mass:265.95927044
Topological Polar Surface Area:171
Heavy Atom Count:15
Complexity:311
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes