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

Structure

InChI Key BWDFGOBOSAFUSU-UHFFFAOYSA-N
Smiles O=C(OCCOP(=O)O)C(=C)C
InChI
InChI=1/C6H11O5P/c1-5(2)6(7)10-3-4-11-12(8)9/h12H,1,3-4H2,2H3,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11O5P
Molecular Weight 194.03
AlogP 0.5
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 72.83
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 51949-57-6
NORMAN SUSDAT