Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80862986

Structure

InChI Key GXIURPTVHJPJLF-UWTATZPHSA-N
Smiles O=C(O)[C@@H](CO)OP(=O)(O)O
InChI
InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7O7P
Molecular Weight 185.99
AlogP -1.46
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 124.29
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2553-59-5
NORMAN SUSDAT
PubChem 439278