Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RJ7QU4YQUN
EPA CompTox DTXSID9044372

Structure

InChI Key SJHCUXCOGGKFAI-UHFFFAOYSA-N
Smiles CC(C)OP(OC(C)C)OC(C)C
InChI
InChI=1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21O3P1
Molecular Weight 208.12
AlogP 3.49
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 27.69
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 116-17-6
NORMAN SUSDAT
FDA SRS RJ7QU4YQUN
PubChem 8304
ChemSpider 8003.0