chempirical

Methyl alpha-D-mannopyranoside

C7H14O6CAS 617-04-9194.18 g/mol

Open in Covalent MOL file
OOOHOHOHHO
AcetalAlcoholEther

Properties

Molecular formula
C7H14O6
Molar mass
194.18 g/mol
Exact mass
194.0790 Da
Melting point
193 °C
logP
-2.57Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
S, R, S, S, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 37 ECHA notifiers. Aggregated from 37 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
617-04-9
SMILES
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIKey
HOVAGTYPODGVJG-VEIUFWFVSA-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

Weigh it out

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

Names and synonyms

8 names
  • Methyl α-D-mannopyranoside
  • α-D-Mannopyranoside, methyl
  • Mannopyranoside, methyl, α-D-
  • 1-O-Methyl-α-D-mannopyranoside
  • 1-O-Methyl-α-mannopyranoside
  • Methyl α-D-mannoside
  • α-Methyl D-(-)-mannoside
  • NSC 1225

Work with Methyl alpha-D-mannopyranoside

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 α-D-glucopyranoside97-30-3Diastereomer Methyl β-D-glucopyranoside709-50-2Diastereomer Methyl beta-D-galactopyranoside1824-94-8Diastereomer

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