Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 71MR4V32TI
EPA CompTox DTXSID10165699

Structure

InChI Key HJZKOAYDRQLPME-UHFFFAOYSA-N
Smiles O=P(O)(O)C(O)P(=O)(O)O
InChI
InChI=1S/CH6O7P2/c2-1(9(3,4)5)10(6,7)8/h1-2H,(H2,3,4,5)(H2,6,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula CH6O7P2
Molecular Weight 191.96
AlogP -1.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 135.29
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 15468-10-7
NORMAN SUSDAT
FDA SRS 71MR4V32TI