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

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

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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