1-O-A-D-GLUCOPYRANOSYL-D-MANNITOL

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

Structure

InChI Key SERLAGPUMNYUCK-DCUALPFSSA-N
Smiles OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI
InChI=1/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O11
Molecular Weight 344.13
AlogP -5.76
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 9.0
Number of Rotational Bond 8.0
Polar Surface Area 200.53
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 20942-99-8
NORMAN SUSDAT
CONTENTS