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

Structure

InChI Key KBDKAJNTYKVSEK-UHFFFAOYSA-N
Smiles OCC1OC(CC1O)O[P](O)(O)=O
InChI
InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(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 17210-42-3
NORMAN SUSDAT