3-O-FUCOPYRANOSYL-2-ACETAMIDO-2-DEOXYGLUCOPYRANOSE

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

Structure

InChI Key YDWJUIXDZSJZHH-MYCHVAHWSA-N
Smiles C[C@@H]1O[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)[C@@H](O)[C@H](O)[C@@H]1O
InChI
InChI=1S/C14H25NO10/c1-5-9(20)11(22)12(23)14(24-5)25-13(10(21)8(19)4-17)7(3-16)15-6(2)18/h3,5,7-14,17,19-23H,4H2,1-2H3,(H,15,18)/t5-,7-,8+,9+,10+,11+,12-,13+,14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H25N1O10
Molecular Weight 367.15
AlogP -3.54
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 8.0
Polar Surface Area 189.5
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 52630-68-9
NORMAN SUSDAT
CONTENTS