Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0062767

Structure

InChI Key ACRCGKKNPOZIPG-UHFFFAOYSA-N
Smiles CP1(=O)OCC2(CO1)COP(=O)(C)OC2
InChI
InChI=1S/C7H14O6P2/c1-14(8)10-3-7(4-11-14)5-12-15(2,9)13-6-7/h3-6H2,1-2H3/t7-,14-,15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14O6P2
Molecular Weight 256.03
AlogP 1.71
Hydrogen Bond Acceptor 6.0
Polar Surface Area 71.06
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 3001-98-7
NORMAN SUSDAT
PubChem 76350
ChemSpider 68827.0