4-Methylumbelliferyl α-L-arabinopyranoside

C₁₅H₁₆O₇CAS 69414-26-2308.29 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₅H₁₆O₇
Molar mass: 308.29 g/mol
Exact mass: 308.0896 Da
logP: -0.08Crippen estimate
Polar surface area: 109.4 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 2
Stereocentres: S, S, S, Rin 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

69414-26-2

SMILES

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

InChIKey

JWIYLOHVJDJZOQ-HPEDKQMDSA-N

InChI

InChI=1S/C15H16O7/c1-7-4-12(17)22-11-5-8(2-3-9(7)11)21-15-14(19)13(18)10(16)6-20-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13-,14+,15-/m0/s1

Weigh it out

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

Names and synonyms

2 names

2H-1-Benzopyran-2-one, 7-(α-L-arabinopyranosyloxy)-4-methyl-
7-(α-L-Arabinopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one

Work with 4-Methylumbelliferyl α-L-arabinopyranoside

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-xyloside6734-33-4Diastereomer

Similar compounds

4-Methylumbelliferyl α-L-fucopyranoside54322-38-266 % similar 4-Methylumbelliferyl α-D-glucopyranoside17833-43-166 % similar 4-Methylumbelliferyl β-D-glucopyranoside18997-57-466 % similar 4-Methylumbelliferyl α-D-mannopyranoside28541-83-566 % similar 4-Methylumbelliferyl α-D-galactopyranoside38597-12-566 % similar 4-Methylumbelliferyl β-D-galactopyranoside6160-78-766 % similar 4-Methylumbelliferyl beta-D-glucuronide6160-80-162 % similar 4-Methylumbelliferyl β-cellobioside72626-61-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(+)-Catechin hydrate225937-10-0 (+)-Catechin hydrate88191-48-4

Elsewhere

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