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

Structure

InChI Key RUWOTBASWCAIML-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCC(O)CO[P](O)(O)=O
InChI
InChI=1S/C16H35O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-21-22(18,19)20/h16-17H,2-15H2,1H3,(H2,18,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H35O5P1
Molecular Weight 338.22
AlogP 4.55
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 16.0
Polar Surface Area 86.99
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 84753-03-7
NORMAN SUSDAT
PubChem 16205521
ChemSpider 14758741.0