Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 124X2V25W4
EPA CompTox DTXSID9045394

Structure

InChI Key FFKUDWZICMJVPA-UHFFFAOYSA-N
Smiles OC(=O)c1ccccc1OP(=O)(O)O
InChI
InChI=1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7O6P1
Molecular Weight 218.0
AlogP 0.86
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 104.06
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 6064-83-1
NORMAN SUSDAT
FDA SRS 124X2V25W4
PubChem 3418
ChemSpider 3300.0