Name: Name:3-NITROPHENYL-ALPHA-D-GALACTOPYRANOSIDE
Brand: Angene
SKU: AG00DE4P
Rating: 90 (10 reviews)

3-NITROPHENYL-ALPHA-D-GALACTOPYRANOSIDE

CAS No.:

52571-71-8

Catalog Number:

AG00DE4P

Molecular Formula:

C12H15NO8

Molecular Weight:

301.2494

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Product Description

Catalog Number:

AG00DE4P

Chemical Name:

3-NITROPHENYL-ALPHA-D-GALACTOPYRANOSIDE

CAS Number:

52571-71-8

Molecular Formula:

C12H15NO8

Molecular Weight:

301.2494

MDL Number:

MFCD00067358

IUPAC Name:

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol

InChI:

InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1

InChI Key:

VCCMGHVCRFMITI-IIRVCBMXSA-N

SMILES:

OC[C@H]1O[C@H](Oc2cccc(c2)[N+](=O)[O-])[C@@H]([C@H]([C@H]1O)O)O

Properties

Complexity:

362

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.251g/mol

Monoisotopic Mass:

301.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

145A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5

Literature

Title	Journal
Cholera toxin inhibitors studied with high-performance liquid affinity chromatography: a robust method to evaluate receptor-ligand interactions.	Chemical biology & drug design 20090101
3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies.	Bioorganic & medicinal chemistry 20040301
Characterization and crystal structure of a high-affinity pentavalent receptor-binding inhibitor for cholera toxin and E. coli heat-labile enterotoxin.	Journal of the American Chemical Society 20020731
Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.	Acta crystallographica. Section D, Biological crystallography 20010201