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Chemical structure of 4-Nitrophenyl β-D-Cellotrioside

GC42462

4-Nitrophenyl β-D-Cellotrioside

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

4-Nitrophenyl β-D-cellotrioside is a chromogenic substrate for endoglucanases and cellobiohydrolases

ChemicalCAS106927-48-4MW625.5FormulaC24H35NO18
CAS number
106927-48-4
Molecular weight
625.5
Formula
C24H35NO18
Solubility
Soluble in DMSO
InChIKey
BETIRLUWOMCBBJ-UHFFFAOYSA-N
Catalogue number
GC42462
Brand
GLPBIO
Computed properties PubChem CID 4101626 · XLogP -4.7 · TPSA 304 Ų · H-bond donors 10
XLogP
-4.7
TPSA
304 Ų
H-bond donors
10
H-bond acceptors
18
Rotatable bonds
9
Heavy atoms
43

SMILES C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 4101626), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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