P-NITROPHENYL 6-DEOXY-ß-L-GALACTOPYRANOSIDE

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

Structure

InChI Key YILIDCGSXCGACV-NFOQIUCISA-N
Smiles C[C@@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O
InChI
InChI=1/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15NO7
Molecular Weight 285.08
AlogP -0.2
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 122.29
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 22153-71-5
NORMAN SUSDAT
CONTENTS