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

Structure

InChI Key KKZFLSZAWCYPOC-UHFFFAOYSA-N
Smiles OC1CC(O)C(CO[P](O)(O)=O)O1
InChI
InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11O7P1
Molecular Weight 214.02
AlogP -1.44
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 116.45
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 102916-66-5
NORMAN SUSDAT