2-Chloro-4-nitrophenyl-β-D-cellobioside

Key facts

CAS number

135743-28-1

Purity

>95%

Form

Solid

form

Molecular weight

497.8 Da

Molecular formula

C₁₈H₂₄ClNO₁₃

PubChem

45051760

Nature

Synthetic

Solubility

Soluble in DMSO

Soluble in water

Biochemical name

2-Chloro-4-nitrophenyl-beta-D-cellobioside

Biological description

Chromogenic substrate for cellulase activity. Suitable for kinetic characterisation of cellulases. Useful for biofuels research to measure cellulase activity for optimum ethanol production.

Canonical smiles

C1=CC(=C(C=C1[N+](=O)[O-])Cl)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O

Isomeric smiles

C1=CC(=C(C=C1[N+](=O)[O-])Cl)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

InChi

InChI=1S/C18H24ClNO13/c19-7-3-6(20(28)29)1-2-8(7)30-17-15(27)13(25)16(10(5-22)32-17)33-18-14(26)12(24)11(23)9(4-21)31-18/h1-3,9-18,21-27H,4-5H2/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18+/m1/s1

InChiKey

RFGBZYLCQCJGOG-KFRZSCGFSA-N

IUPAC Name

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