(S)-1,2-O-(2,2,2-TRICHLOROETHYLIDENE)-A-D-GLUCOFURANOSE

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

Structure

InChI Key OJYGBLRPYBAHRT-GVUNPQSCSA-N
Smiles ClC(Cl)(Cl)[C@H]1O[C@@H]2[C@@H](O)[C@H](O[C@@H]2O1)[C@H](O)CO
InChI
InChI=1/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11Cl3O6
Molecular Weight 307.96
AlogP -0.46
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 88.38
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 16376-36-6
NORMAN SUSDAT
CONTENTS