Methyl β-D-glucopyranoside

C7H14O6CAS 709-50-2194.18 g/mol

Open in Covalent MOL file
OOOHOHOHHO
AcetalAlcoholEther

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 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
R, R, S, S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

8 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
  • Methyl beta-D-glucopyranoside

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

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.

Methyl alpha-D-galactopyranoside monohydrate34004-14-3Hydrate, diastereomer Methyl alpha-D-galactopyranoside3396-99-4Diastereomer Methyl beta-D-galactopyranoside1824-94-8Diastereomer Methyl α-D-glucopyranoside97-30-3Diastereomer Methyl alpha-D-mannopyranoside617-04-9Diastereomer Methyl D-galactopyranoside93302-26-2Stereoisomer

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 4-Methoxyphenyl beta-D-galactopyranoside3150-20-755 % similar 4-Methoxyphenylglucoside6032-32-255 % similar Methyl-2-acetamido-2-deoxy-D-glucopyranoside6082-04-855 % 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 Sequoyitol523-92-2 Quebrachitol642-38-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook