CAS 1154-94-5 | β-D-Galactopyranoside, 2-nitrophenyl 6-deoxy- | CAS Number 1154-94-5

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1154-94-5 | β-D-Galactopyranoside, 2-nitrophenyl 6-deoxy-

CAS No: 1154-94-5 Catalog No: AG000FYD MDL No:MFCD00057511

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.252g/mol

Monoisotopic Mass:

285.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

125A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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