4-Methoxyphenyl beta-D-galactopyranoside

C₁₃H₁₈O₇CAS 3150-20-7286.28 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₃H₁₈O₇
Molar mass: 286.28 g/mol
Exact mass: 286.1053 Da
logP: -1.13Crippen estimate
Polar surface area: 108.6 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 4
Stereocentres: S, R, S, R, 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

3150-20-7

SMILES

COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

InChIKey

SIXFVXJMCGPTRB-KSSYENDESA-N

InChI

InChI=1S/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10+,11+,12-,13-/m1/s1

Weigh it out

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

Work with 4-Methoxyphenyl beta-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.

Methylarbutin6032-32-2Diastereomer

Similar compounds

Arbutin497-76-774 % similar α-Arbutin84380-01-874 % similar Phenyl β-D-glucopyranoside1464-44-471 % similar Phenyl β-D-galactopyranoside2818-58-871 % similar Phenyl α-D-glucopyranoside4630-62-071 % similar 4-Aminophenyl-beta-galactoside5094-33-770 % similar 3,5-Dihydroxy-4'-methoxystilbene-3beta-D-glucopyranoside30197-14-967 % similar Helicide80154-34-365 % similar

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

Same formula

Salicin138-52-3 Homoarbutin25712-94-1 Gastrodin62499-27-8

Elsewhere

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