4-Methylumbelliferyl α-D-galactopyranoside

C16H18O8CAS 38597-12-5338.31 g/mol

Open in Covalent MOL file
OOOOHOHOOHOH
AcetalAlcoholEther

Properties

Molecular formula
C16H18O8
Molar mass
338.31 g/mol
Exact mass
338.1002 Da
logP
-0.72Crippen estimate
Polar surface area
129.6 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
3
Stereocentres
R, R, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
38597-12-5
SMILES
Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12
InChIKey
YUDPTGPSBJVHCN-CHUNWDLHSA-N
InChI
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/s1

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Names and synonyms

5 names
  • 2H-1-Benzopyran-2-one, 7-(α-D-galactopyranosyloxy)-4-methyl-
  • 7-(α-D-Galactopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one
  • 4-Methylumbelliferyl α-galactoside
  • 4-Methylumbelliferone α-D-galactopyranoside
  • 4-Methylumbelliferyl α-D-galactoside

Work with 4-Methylumbelliferyl α-D-galactopyranoside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Methylumbelliferyl β-D-galactopyranoside6160-78-7Diastereomer 4-Methylumbelliferyl β-D-glucopyranoside18997-57-4Diastereomer 4-Methylumbelliferyl α-D-glucopyranoside17833-43-1Diastereomer 4-Methylumbelliferyl α-D-mannopyranoside28541-83-5Diastereomer

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 beta-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

Elsewhere

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