1-NAPHTHYL ß-D-GALACTOPYRANOSIDE

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

Structure

InChI Key CVAOQMBKGUKOIZ-LYYZXLFJSA-N
Smiles OC[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@H]1O
InChI
InChI=1/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-20H,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18O6
Molecular Weight 306.11
AlogP 0.02
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 99.38
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 41335-32-4
NORMAN SUSDAT
CONTENTS