Home Nitros β-D-Galactopyranoside, 2-nitrophenyl 6-deoxy-

β-D-Galactopyranoside, 2-nitrophenyl 6-deoxy-

CAS No.:
1154-94-5
Catalog Number:
AG000FYD
Molecular Formula:
C12H15NO7
Molecular Weight:
285.2500
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Product Description
Catalog Number:
AG000FYD
Chemical Name:
β-D-Galactopyranoside, 2-nitrophenyl 6-deoxy-
CAS Number:
1154-94-5
Molecular Formula:
C12H15NO7
Molecular Weight:
285.2500
MDL Number:
MFCD00057511
IUPAC Name:
(2R,3R,4S,5R,6S)-2-methyl-6-(2-nitrophenoxy)oxane-3,4,5-triol
InChI:
InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-5-3-2-4-7(8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1
InChI Key:
SWRPIVXPHLYETN-BVWHHUJWSA-N
SMILES:
O[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O)C)Oc1ccccc1[N+](=O)[O-]
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
285.085g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
285.252g/mol
Monoisotopic Mass:
285.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
Altering residues N125 and D149 impacts sugar effector binding and allosteric parameters in Escherichia coli lactose repressor. Biochemistry 20111025
Ligand interactions with lactose repressor protein and the repressor-operator complex: the effects of ionization and oligomerization on binding. Biophysical chemistry 20070301
Using networks to identify fine structural differences between functionally distinct protein states. Biochemistry 20040831
Properties