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Chemical structure of 4-Methylumbelliferyl β-cellotrioside

GC67222

4-Methylumbelliferyl β-cellotrioside

Also known as 7-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-methylchromen-2-one

4-Methylumbelliferyl β-cellotrioside, a chromogenic substrate for β-glycosidases, is a cellulose fluorescent derivative

ChemicalCAS84325-18-8MW662.59FormulaC28H38O18
CAS number
84325-18-8
Molecular weight
662.59
Formula
C28H38O18
InChIKey
DTPBJHCTIBQLMO-UHFFFAOYSA-N
Catalogue number
GC67222
Brand
GLPBIO
Computed properties PubChem CID 71750686 · XLogP -5.1 · TPSA 284 Ų · H-bond donors 10
XLogP
-5.1
TPSA
284 Ų
H-bond donors
10
H-bond acceptors
18
Rotatable bonds
9
Heavy atoms
46

SMILES CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 71750686), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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