2,3-BISPHOSPHO-D-GLYCERIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key XOHUEYCVLUUEJJ-UHFFFAOYSA-N
Smiles O=P(O)(OC(C(=O)O)COP(=O)(O)O)O
InChI
InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8O10P2
Molecular Weight 265.96
AlogP -1.34
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 170.82
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 138-81-8
NORMAN SUSDAT
CONTENTS