chempirical

Beta-D-Mannopyranose 1,3,4,6-tetra-O-acetate 2-O-trifluoromethanesulfonate

C15H19F3O12SCAS 92051-23-5480.36 g/mol

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AcetalAlkyl halideEsterEtherSulfonate ester

Properties

Molecular formula
C15H19F3O12S
Molar mass
480.36 g/mol
Exact mass
480.0549 Da
logP
-0.06Crippen estimate
Polar surface area
157.8 Ų
H-bond donors / acceptors
0 / 12
Rotatable bonds
7
Stereocentres
R, R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
92051-23-5
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)OS(=O)(=O)C(F)(F)F)OC(=O)C)OC(=O)C
InChIKey
OIBDVHSTOUGZTJ-PEBLQZBPSA-N
InChI
InChI=1S/C15H19F3O12S/c1-6(19)25-5-10-11(26-7(2)20)12(27-8(3)21)13(14(29-10)28-9(4)22)30-31(23,24)15(16,17)18/h10-14H,5H2,1-4H3/t10-,11-,12+,13+,14-/m1/s1

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Names and synonyms

1 names
  • Tatm

Work with Beta-D-Mannopyranose 1,3,4,6-tetra-O-acetate 2-O-trifluoromethanesulfonate

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

((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-866 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-166 % similar β-D-Galactose pentaacetate4163-60-466 % similar α-D-Mannose pentaacetate4163-65-966 % similar Alpha-D-glucose pentaacetate604-68-266 % similar Beta-D-Glucose pentaacetate604-69-366 % similar Glucose pentaacetate83-87-466 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-564 % similar

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

Elsewhere

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