4-Methylumbelliferyl β-cellobioside
Properties
- Molecular formula
- C22H28O13
- Molar mass
- 500.45 g/mol
- Exact mass
- 500.1530 Da
- logP
- -2.90Crippen estimate
- Polar surface area
- 208.7 Ų
- H-bond donors / acceptors
- 7 / 13
- Rotatable bonds
- 6
- Stereocentres
- S, R, S, S, R, S, S, R, R, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
72626-61-0SMILES
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)ccc12InChIKey
PRTGXBPFDYMIJH-MKQZUAMYSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 2H-1-Benzopyran-2-one, 7-[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-4-methyl-
- Coumarin, 7-(β-cellobiosyloxy)-4-methyl-
- 7-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-4-methyl-2H-1-benzopyran-2-one
- 4-Methylumbelliferyl cellobiopyranoside
Work with 4-Methylumbelliferyl β-cellobioside
Similar compounds
4-Methylumbelliferyl α-D-glucopyranoside17833-43-189 % similar
4-Methylumbelliferyl β-D-glucopyranoside18997-57-489 % similar
4-Methylumbelliferyl α-D-mannopyranoside28541-83-589 % similar
4-Methylumbelliferyl α-D-galactopyranoside38597-12-589 % similar
4-Methylumbelliferyl β-D-galactopyranoside6160-78-789 % similar
4-Methylumbelliferyl N-acetyl-β-D-galactosaminide36476-29-667 % similar
4-Methylumbelliferyl 2-acetamido-2-deoxy-β-D-glucopyranoside37067-30-467 % similar
4-Methylumbelliferyl α-L-fucopyranoside54322-38-266 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.