3-O-Methyl-α-D-glucopyranose

C7H14O6CAS 13224-94-7194.18 g/mol

Open in Covalent MOL file
OOHOHOHOHO
AlcoholEther

Properties

Molecular formula
C7H14O6
Molar mass
194.18 g/mol
Exact mass
194.0790 Da
Melting point
163–167 °C
logP
-2.57Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
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.

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Identifiers

CAS number
13224-94-7
SMILES
CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O
InChIKey
SCBBSJMAPKXHAH-OVHBTUCOSA-N
InChI
InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7+/m1/s1

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Names and synonyms

3 names
  • α-D-Glucopyranose, 3-O-methyl-
  • Glucopyranose, 3-O-methyl-, α-D-
  • 3-O-Methyl-α-D-glucose

Work with 3-O-Methyl-α-D-glucopyranose

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

D-Galactopyranose10257-28-060 % similar β-D-Glucose492-61-560 % similar α-D-Glucose492-62-660 % similar β-D-Allopyranose7283-09-260 % similar Beta-D-glucose9001-37-060 % similar β-Galactosidase9031-11-260 % similar Laminarin9008-22-458 % similar α-D-Glucose monohydrate14431-43-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pinitol10284-63-6 Methyl beta-D-galactopyranoside1824-94-8 Methyl alpha-D-galactopyranoside3396-99-4 Sequoyitol523-92-2 Methyl alpha-D-mannopyranoside617-04-9 Quebrachitol642-38-6 Methyl β-D-glucopyranoside709-50-2 Methyl D-galactopyranoside93302-26-2

Elsewhere

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