chempirical

(4R,5R)-4,5-Bis[[[(4-methylphenyl)sulfonyl]oxy]methyl]-2,2-dimethyl-[1,3]dioxolane

C21H26O8S2CAS 51064-65-4470.55 g/mol

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Sulfone

Properties

Molecular formula
C21H26O8S2
Molar mass
470.55 g/mol
Exact mass
470.1069 Da
Melting point
91–92 °C
logP
2.93Crippen estimate
Polar surface area
105.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
8

Identifiers

CAS number
51064-65-4
SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2OC(C)(C)O[C@@H]2COS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
KPFDKWNWYAXRNJ-WOJBJXKFSA-N
InChI
InChI=1S/C21H26O8S2/c1-15-5-9-17(10-6-15)30(22,23)26-13-19-20(29-21(3,4)28-19)14-27-31(24,25)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3/t19-,20-/m1/s1

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Names and synonyms

9 names
  • 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, 4,5-bis(4-methylbenzenesulfonate), (4R,5R)-
  • 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, bis(4-methylbenzenesulfonate), (4R-trans)-
  • 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, bis(4-methylbenzenesulfonate), (4R,5R)-
  • 2,3-Isopropylidene-D-threitol-1,4-ditosylate
  • (+)-1,4-Di-O-p-toluenesulfonyl-2,3-O-isopropylidene-D-threitol
  • 1,4-Di-O-p-toluenesulfonyl-2,3-O-isopropylidene-D-threitol
  • 1,4-Ditosyl-2,3-O-isopropylidene-D-threitol
  • 1,4-Di-O-tosyl-2,3-O-isopropylidene-D-threitol
  • ((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate)

Work with (4R,5R)-4,5-Bis[[[(4-methylphenyl)sulfonyl]oxy]methyl]-2,2-dimethyl-[1,3]dioxolane

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

Same formula

(4S-Trans)-2,2-Dimethyl-4,5-bis[(4-methylphenylsulfonyloxy)methyl]-1,3-dioxolane37002-45-2

Elsewhere

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