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

Structure

InChI Key GACTWZZMVMUKNG-KVTDHHQDSA-N
Smiles C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O
InChI
InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15O9P1
Molecular Weight 262.05
AlogP -3.47
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 7.0
Polar Surface Area 167.91
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 15806-48-1
NORMAN SUSDAT
PubChem 130418
ChemSpider 598.0