Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E149J5OTIF
EPA CompTox DTXSID7048740

Structure

InChI Key DSLZVSRJTYRBFB-LLEIAEIESA-N
Smiles O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
InChI
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O8
Molecular Weight 210.04
AlogP -3.4
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 155.52
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 526-99-8
NORMAN SUSDAT
FDA SRS E149J5OTIF
PubChem 33037