chempirical

(3R,4S,5R,6R)-3,4,5-Trimethoxy-6-(methoxymethyl)oxan-2-ol

C10H20O6CAS 7506-68-5236.26 g/mol

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OOOHOOO
AlcoholEther

Properties

Molecular formula
C10H20O6
Molar mass
236.26 g/mol
Exact mass
236.1260 Da
logP
-0.60Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
7506-68-5
SMILES
COC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)OC)OC)OC
InChIKey
AQWPITGEZPPXTJ-ZKZCYXTQSA-N
InChI
InChI=1S/C10H20O6/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10?/m1/s1

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Names and synonyms

7 names
  • 2,3,4,6-Tetramethyl-D-glucose
  • D-Glucopyranose, 2,3,4,6-tetramethyl-
  • Glucopyranose, 2,3,4,6-tetra-O-methyl-, d-
  • 2,3,4,6-Tetra-O-methyl-glc
  • 2,3,4,6-Tetra-O-methylglucopyranose
  • (3R,4S,5R,6R)-3,4,5-Trimethoxy-6-(methoxymethyl)tetrahydropyran-2-ol
  • (3R,4S,5R,6R)-3,4,5-Trimethoxy-6-(methoxymethyl)tetrahydro-2H-pyran-2-ol

Work with (3R,4S,5R,6R)-3,4,5-Trimethoxy-6-(methoxymethyl)oxan-2-ol

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

Di-O-methyl-β-cyclodextrin51166-71-354 % similar 3-O-Methyl-α-D-glucopyranose13224-94-743 % similar 1,1,2-Trimethoxyethane24332-20-537 % similar 1,3-Dimethoxy-2-propanol623-69-837 % similar Dimethyl isosorbide5306-85-435 % similar 4,6-O-Ethylidene-α-D-glucopyranose13224-99-235 % similar Propylene glycol methyl ether107-98-234 % similar Propylene glycol dimethyl ether7778-85-034 % similar

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

Elsewhere

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