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Chemical structure of 4-Nitrophenyl β-D-Cellobioside

GC42461

4-Nitrophenyl β-D-Cellobioside

Also known as (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

4-Nitrophenyl β-D-cellobioside is a disaccharide and an enzyme substrate

ChemicalCAS3482-57-3MW463.4FormulaC18H25NO13
CAS number
3482-57-3
Molecular weight
463.4
Formula
C18H25NO13
Solubility
PBS (pH 7·2)： 1 mg/ml
InChIKey
IAYJZWFYUSNIPN-KFRZSCGFSA-N
Catalogue number
GC42461
Brand
GLPBIO
Computed properties PubChem CID 165125 · XLogP -2.6 · TPSA 224 Ų · H-bond donors 7
XLogP
-2.6
TPSA
224 Ų
H-bond donors
7
H-bond acceptors
13
Rotatable bonds
6
Heavy atoms
32

SMILES C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 165125), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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