Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BP8KW73WMG
EPA CompTox DTXSID701336594

Structure

InChI Key FBPFZTCFMRRESA-ZXXMMSQZSA-N
Smiles OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
InChI
InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14O6
Molecular Weight 182.08
AlogP -3.59
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 121.38
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 24557-79-7
NORMAN SUSDAT
FDA SRS BP8KW73WMG