Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20937829

Structure

InChI Key BQEBASLZIGFWEU-YMKBBEOCSA-N
Smiles O=CC(OC1OC(C)C(O)C(O)C1O)C(O)C(O)C(O)CO
InChI
InChI=1/C12H22O10/c1-4-7(16)10(19)11(20)12(21-4)22-6(3-14)9(18)8(17)5(15)2-13/h3-13,15-20H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22O10
Molecular Weight 326.12
AlogP -4.53
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 7.0
Polar Surface Area 177.14
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 17074-02-1
NORMAN SUSDAT
PubChem 86933