4-Methylumbelliferyl β-D-glucopyranoside
Properties
- Molecular formula
- C16H18O8
- Molar mass
- 338.31 g/mol
- Exact mass
- 338.1002 Da
- Melting point
- 205–207 °C
- logP
- -0.72Crippen estimate
- Polar surface area
- 129.6 Ų
- H-bond donors / acceptors
- 4 / 8
- Rotatable bonds
- 3
- Stereocentres
- S, R, S, S, Rin SMILES atom order
Identifiers
CAS number
18997-57-4SMILES
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12InChIKey
YUDPTGPSBJVHCN-YMILTQATSA-NInChI
InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 2H-1-Benzopyran-2-one, 7-(β-D-glucopyranosyloxy)-4-methyl-
- Coumarin, 7-(β-D-glucopyranosyloxy)-4-methyl-
- 7-(β-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one
- 4-Methylumbelliferyl-β-D-glucoside
- 4-Methylumbelliferone β-D-glucoside
- 4-Methylumbelliferyl glucoside
- 4-Methyl-coumarin-7-O-β-D-glucoside
Work with 4-Methylumbelliferyl β-D-glucopyranoside
Similar compounds
4-Methylumbelliferyl β-cellobioside72626-61-089 % similar
4-Methylumbelliferyl N-acetyl-β-D-galactosaminide36476-29-673 % similar
4-Methylumbelliferyl 2-acetamido-2-deoxy-β-D-glucopyranoside37067-30-473 % similar
4-Methylumbelliferyl α-L-fucopyranoside54322-38-273 % similar
Skimmin93-39-069 % similar
4-Methylumbelliferyl β-D-glucuronide6160-80-168 % similar
4-Methylumbelliferyl β-D-xyloside6734-33-466 % similar
4-Methylumbelliferyl α-L-arabinopyranoside69414-26-266 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds