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

Structure

InChI Key OKZYCXHTTZZYSK-UHFFFAOYSA-N
Smiles CC(O)(CCO[P](O)(O)=O)CC(O)=O
InChI
InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13O7P1
Molecular Weight 228.04
AlogP -0.29
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 124.29
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 73566-35-5
NORMAN SUSDAT