Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5ZYS7J5LT3
EPA CompTox DTXSID5058270

Structure

InChI Key BYEFHDZWRALTEN-UHFFFAOYSA-N
Smiles CCC12COP(=O)(OC1)OC2
InChI
InChI=1S/C6H11O4P/c1-2-6-3-8-11(7,9-4-6)10-5-6/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11O4P1
Molecular Weight 178.04
AlogP 1.57
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 44.76
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1005-93-2
NORMAN SUSDAT
FDA SRS 5ZYS7J5LT3
PubChem 13869
ChemSpider 13269.0