4-Methylumbelliferyl α-L-fucopyranoside

C₁₆H₁₈O₇CAS 54322-38-2322.31 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₆H₁₈O₇
Molar mass: 322.31 g/mol
Exact mass: 322.1053 Da
logP: 0.31Crippen estimate
Polar surface area: 109.4 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 2
Stereocentres: S, S, S, R, Sin SMILES atom order

Identifiers

CAS number

54322-38-2

SMILES

Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)ccc12

InChIKey

CQKHENXHLAUMBH-CRLRYRHBSA-N

InChI

InChI=1S/C16H18O7/c1-7-5-12(17)23-11-6-9(3-4-10(7)11)22-16-15(20)14(19)13(18)8(2)21-16/h3-6,8,13-16,18-20H,1-2H3/t8-,13+,14+,15-,16-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

2H-1-Benzopyran-2-one, 7-[(6-deoxy-α-L-galactopyranosyl)oxy]-4-methyl-
7-[(6-Deoxy-α-L-galactopyranosyl)oxy]-4-methyl-2H-1-benzopyran-2-one
4-Methylumbelliferone α-L-fucopyranoside
4-Methylumbelliferyl α-L-fucoside

Work with 4-Methylumbelliferyl α-L-fucopyranoside

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

Similar compounds

4-Methylumbelliferyl α-D-glucopyranoside17833-43-173 % similar 4-Methylumbelliferyl β-D-glucopyranoside18997-57-473 % similar 4-Methylumbelliferyl α-D-mannopyranoside28541-83-573 % similar 4-Methylumbelliferyl α-D-galactopyranoside38597-12-573 % similar 4-Methylumbelliferyl β-D-galactopyranoside6160-78-773 % similar 4-Methylumbelliferyl β-D-glucuronide6160-80-171 % 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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