Methyl β-D-glucopyranoside

C₇H₁₄O₆CAS 709-50-2194.18 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₇H₁₄O₆
Molar mass: 194.18 g/mol
Exact mass: 194.0790 Da
Density: 1.0307 g/mL (at 20 °C)
Melting point: 102–104 °C
logP: -2.57Crippen estimate
Polar surface area: 99.4 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 2
Stereocentres: R, R, S, S, Rin SMILES atom order

Identifiers

CAS number

709-50-2

SMILES

CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChIKey

HOVAGTYPODGVJG-XUUWZHRGSA-N

InChI

InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1

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Names and synonyms

7 names

β-D-Glucopyranoside, methyl
Glucopyranoside, methyl, β-D-
Methyl β-D-glucoside
NSC 403457
1-O-Methyl-β-D-glucopyranoside
β-Methyl glucoside
Methylglucopyranoside

Work with Methyl β-D-glucopyranoside

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

Methyl β-D-ribofuranoside7473-45-296 % similar Trehalose99-20-770 % similar Glucosylglycerol22160-26-563 % similar α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-463 % similar Methyl glucose sesquistearate68936-95-858 % similar Methylarbutin6032-32-255 % similar Lactitol585-86-454 % similar Maltitol585-88-654 % similar

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

Same formula

Pinitol10284-63-6 3-O-Methyl-α-D-glucopyranose13224-94-7 Methyl β-D-galactopyranoside1824-94-8 Methyl-α-D-galactose3396-99-4 Sequoyitol523-92-2 Methyl α-D-mannopyranoside617-04-9 Quebrachitol642-38-6 Methyl α-D-glucopyranoside97-30-3

Elsewhere

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