PHENYL ß-D-GALACTOPYRANOSIDE

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

Structure

InChI Key NEZJDVYDSZTRFS-YBXAARCKSA-N
Smiles OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
InChI
InChI=1/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16O6
Molecular Weight 256.09
AlogP -1.13
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 99.38
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 2818-58-8
NORMAN SUSDAT
CONTENTS