P-NITROPHENYL ß-D-MANNOPYRANOSIDE

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

Structure

InChI Key IFBHRQDFSNCLOZ-LDMBFOFVSA-N
Smiles OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15NO8
Molecular Weight 301.08
AlogP -1.23
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 142.52
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 35599-02-1
NORMAN SUSDAT
CONTENTS