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

C21H26O8S2CAS 37002-45-2470.55 g/mol

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AcetalEtherSulfonate ester

Properties

Molecular formula
C21H26O8S2
Molar mass
470.55 g/mol
Exact mass
470.1069 Da
Melting point
90–92 °C
logP
2.93Crippen estimate
Polar surface area
105.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
8
Stereocentres
S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
37002-45-2
SMILES
Cc1ccc(S(=O)(=O)OC[C@@H]2OC(C)(C)O[C@H]2COS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
KPFDKWNWYAXRNJ-PMACEKPBSA-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-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, 4,5-bis(4-methylbenzenesulfonate), (4S,5S)-
  • 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, bis(4-methylbenzenesulfonate), (4S-trans)-
  • 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, bis(4-methylbenzenesulfonate), (4S,5S)-
  • 1,4-Di-O-tosyl-2,3-O-isopropylidene-L-threitol
  • (2S,3S)-(-)-2,3-O-Isopropylidene-1,4-di-O-tosyl-L-threitol
  • (S,S)-(-)-1,4-Di-O-tosyl-2,3-O-isopropylidene-L-threitol
  • (4S,5S)-2,2-Dimethyl-4,5-bis[(4-toluenesulfonyloxy)methyl]-1,3-dioxolane
  • (S,S)-(-)-2,3-O-Isopropylidenethreitol 1,4-ditosylate
  • 4-Methylbenzenesulfonic acid [(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis(methylene) ester

Work with (4S-Trans)-2,2-Dimethyl-4,5-bis[(4-methylphenylsulfonyloxy)methyl]-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.

(4R,5R)-4,5-Bis[[[(4-methylphenyl)sulfonyl]oxy]methyl]-2,2-dimethyl-[1,3]dioxolane51064-65-4Enantiomer

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

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