Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3E376U3MM2
EPA CompTox DTXSID8058037

Structure

InChI Key WEDGYOKZJHBCGP-SREVYHEPSA-N
Smiles CON(C)C(=O)C=C(C)OP(=O)(OC)OC
InChI
InChI=1S/C8H16NO6P/c1-7(6-8(10)9(2)12-3)15-16(11,13-4)14-5/h6H,1-5H3/b7-6-

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16N1O6P1
Molecular Weight 253.07
AlogP 1.33
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 74.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 25601-84-7
NORMAN SUSDAT
FDA SRS 3E376U3MM2
PubChem 20389209
ChemSpider 4942547.0