P-NITROPHENYL A-D-XYLOPYRANOSIDE

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

Structure

InChI Key MLJYKRYCCUGBBV-LMLFDSFASA-N
Smiles O[C@@H]1CO[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@H](O)[C@H]1O
InChI
InChI=1/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13NO7
Molecular Weight 271.07
AlogP -0.59
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 122.29
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 10238-28-5
NORMAN SUSDAT
CONTENTS