4-Methylumbelliferyl β-D-cellobioside

CAT: 1489-M4360-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1489-M4360-01Size:100 mg

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CAS Number

72626-61-0

Purity

0.98

Chemical Information

4-Methylumbelliferyl beta-cellobioside

4-Methylumbelliferyl beta-D-cellobioside is a member of coumarins and a glycoside.

CAS Number	72626-61-0
PubChem CID	126287
IUPAC Name	7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one
Molecular Formula	C22H28O13
Molecular Weight	500.4
XLogP	-2.9
Topological Polar Surface Area	205
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Heavy Atom Count	35
Formal Charge	0
Complexity	776

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

InChI

InChI=1S/C22H28O13/c1-8-4-14(25)32-11-5-9(2-3-10(8)11)31-21-19(30)17(28)20(13(7-24)34-21)35-22-18(29)16(27)15(26)12(6-23)33-22/h2-5,12-13,15-24,26-30H,6-7H2,1H3/t12-,13-,15-,16+,17-,18-,19-,20-,21-,22+/m1/s1

InChIKey

PRTGXBPFDYMIJH-MKQZUAMYSA-N

Chemical Structure

2D Structure

CAS: 72626-61-0

CID: 126287

Formula: C22H28O13

MW: 500.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	500.4
XLogP3	-2.9
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Exact Mass	500.15299094
Monoisotopic Mass	500.15299094
Topological Polar Surface Area	205 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	776
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
A0640-01	4-Aminophenyl β-D-cellobioside
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M4410-01	4-Methylumbelliferyl β-D-lactoside
M4420-01	4-Methylumbelliferyl β-D-mannopyranoside
D6110-01	4-Methylumbelliferyl β-D-glucopyranoside
D6111-01	4-Methylumbelliferyl β-D-glucopyranoside
M4270-01	4-Methylumbelliferyl α-D-glucopyranoside
M4370-01	4-Methylumbelliferyl β-D-fucopyranoside
M8481-01	4-Methylumbelliferyl-β-D-glucuronide
M4430-01	4-Methylumbelliferyl β-D-ribofuranoside

Alternative Products

Catalog	Name
T88107-01	4-Methylumbelliferyl β-D-cellobioside
M-5530-01	4-Methylumbelliferyl-beta-D-cellobioside
257788-01	4-Methylumbelliferyl b-D-cellobioside
TRC-M334360-1G	4-Methylumbelliferyl beta-D-Cellobioside
21896-01	4-Methylumbelliferyl-ß-D-Cellobioside extrapure, 98%
233398-01	4-Methylumbelliferyl β-D-Cellobioside discontinued. See 257788
438371-01	6-Chloro-4-methylumbelliferyl β-Cellobioside
T38121-01	4-Nitrophenyl β-D-Cellobioside
257514-01	4-Aminophenyl b-D-cellobioside
GC1109-500mg	4-Nitrophenyl b-D-cellobioside

4-Methylumbelliferyl β-D-cellobioside

Chemical Information

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