Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N1T50P1RZ2
EPA CompTox DTXSID901015881

Structure

InChI Key GZCGUPFRVQAUEE-ZXXMMSQZSA-N
Smiles OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O
InChI
InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O6
Molecular Weight 180.06
AlogP -3.38
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 118.22
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 5978-95-0
NORMAN SUSDAT
FDA SRS N1T50P1RZ2