Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PJ2Y9X8SKY
EPA CompTox DTXSID8065741

Structure

InChI Key TVAJJUOMNRUGQA-UHFFFAOYSA-N
Smiles CCCCOCCOP(=O)(O)O
InChI
InChI=1S/C6H15O5P/c1-2-3-4-10-5-6-11-12(7,8)9/h2-6H2,1H3,(H2,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15O5P1
Molecular Weight 198.07
AlogP 0.91
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 75.99
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 14260-98-1
NORMAN SUSDAT
FDA SRS PJ2Y9X8SKY
PubChem 62009
ChemSpider 55856.0