4-Methylumbelliferyl α-L-fucopyranoside

C16H18O7CAS 54322-38-2322.31 g/mol

Open in Covalent MOL file
OOOOHOOHOH
AcetalAlcoholEther

Properties

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

Hazards

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

Search the SDS library

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 beta-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

PubChem CAS Common Chemistry NIST WebBook