4-Methylumbelliferyl β-D-glucuronide
Properties
- Molecular formula
- C16H16O9
- Molar mass
- 352.30 g/mol
- Exact mass
- 352.0794 Da
- Melting point
- 140–143 °C
- logP
- -0.63Crippen estimate
- Polar surface area
- 146.7 Ų
- H-bond donors / acceptors
- 4 / 8
- Rotatable bonds
- 3
- Stereocentres
- S, S, S, S, Rin SMILES atom order
Identifiers
CAS number
6160-80-1SMILES
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc12InChIKey
ARQXEQLMMNGFDU-JHZZJYKESA-NInChI
InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- β-D-Glucopyranosiduronic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl
- Glucopyranosiduronic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl, β-D-
- 4-Methyl-2-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid
- 4-Methylumbelliferone glucuronide
- 4-Methylumbelliferone β-D-glucuronide
- 4-Methylumbelliferyl glucuronide
- Hymecromon-7-O-4-β-D-glucuronide
- 4-Methylumbelliferyl-β-D-glucuronic acid
Work with 4-Methylumbelliferyl β-D-glucuronide
Similar compounds
4-Methylumbelliferyl α-L-fucopyranoside54322-38-271 % similar
4-Methylumbelliferyl α-D-glucopyranoside17833-43-168 % similar
4-Methylumbelliferyl β-D-glucopyranoside18997-57-468 % similar
4-Methylumbelliferyl α-D-mannopyranoside28541-83-568 % similar
4-Methylumbelliferyl α-D-galactopyranoside38597-12-568 % similar
4-Methylumbelliferyl β-D-galactopyranoside6160-78-768 % similar
4-Methylumbelliferyl β-D-xyloside6734-33-462 % similar
4-Methylumbelliferyl α-L-arabinopyranoside69414-26-262 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds