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

C21H26O8S2CAS 51064-65-4470.55 g/mol

Open in Covalent MOL file
SOOOOOOSOO
AcetalEtherSulfonate ester

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
Stereocentres
R, Rin 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
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

Weigh it out

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

Names and synonyms

10 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)
  • (4R-Trans)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethyl bis(toluene-p-sulphonate)

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

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.

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

Similar compounds

(S)-2,2-Dimethyl-1,3-dioxolane-4-methanol P-toluenesulfonate23735-43-571 % similar (R)-(-)-2,2-Dimethyl-1,3-dioxolan-4-ylmethyl P-toluenesulfonate23788-74-171 % similar Methyl 2,3-O-isopropylidene-5-O-p-tolylsulfonyl-β-D-ribofuranoside4137-56-868 % similar (R)-Glycidyl tosylate113826-06-560 % similar (S)-Glycidyl tosylate70987-78-960 % similar Propane-1,2-diyl bis(4-methylbenzene-1-sulfonate)60434-71-157 % similar Ethylene glycol ditosylate6315-52-257 % similar Propyl 4-methylbenzenesulfonate599-91-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook