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4-Methylumbelliferyl β-cellotrioside

CAT: 0013-GTR19351195-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19351195-01Size:25 mg
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Description
4-Methylumbelliferyl β-cellotrioside is a fluorescent cellulose-derived substrate specifically cleaved by β-glycosidases, notably cellulases. It is widely used in vitro for sensitive enzymatic assays to measure cellulolytic activity in environmental and industrial biofuel research.
CAS Number
84325-18-8
Molecular Weight
662.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Methylumbelliferyl b-D-cellotrioside
CAS Number84325-18-8
PubChem CID71750686
IUPAC Name7-[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
Molecular FormulaC28H38O18
Molecular Weight662.6
XLogP-5.1
Topological Polar Surface Area284
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Heavy Atom Count46
Formal Charge0
Complexity1060
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
InChI
InChI=1S/C28H38O18/c1-9-4-16(32)41-12-5-10(2-3-11(9)12)40-26-22(38)19(35)24(14(7-30)43-26)46-28-23(39)20(36)25(15(8-31)44-28)45-27-21(37)18(34)17(33)13(6-29)42-27/h2-5,13-15,17-31,33-39H,6-8H2,1H3
InChIKey
DTPBJHCTIBQLMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylumbelliferyl b-D-cellotrioside
CAS: 84325-18-8
CID: 71750686
Formula: C28H38O18
MW: 662.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight662.6
XLogP3-5.1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Exact Mass662.20581436
Monoisotopic Mass662.20581436
Topological Polar Surface Area284 Ų
Heavy Atom Count46
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count15
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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