ChemSpider 2D Image | (3aR,4R,6R,6aS)-6-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylperhydrofuro[3,4-d][1,3]dioxol-4-yl-methyl 4-methyl-1-benzenesulfonate | C20H28O8S

(3aR,4R,6R,6aS)-6-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylperhydrofuro[3,4-d][1,3]dioxol-4-yl-methyl 4-methyl-1-benzenesulfonate

  • Molecular FormulaC20H28O8S
  • Average mass428.496 Da
  • Monoisotopic mass428.150482 Da
  • ChemSpider ID25939033

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3aR,4R,6R,6aS)-6-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylperhydrofuro[3,4-d][1,3]dioxol-4-yl-methyl 4-methyl-1-benzenesulfonate
{(3aR,4R,6R,6aS)-6-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}methyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
{(3aR,4R,6R,6aS)-6-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}methyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de {(3aR,4R,6R,6aS)-6-[(4R)-2,2-diméthyl-1,3-dioxolan-4-yl]-2,2-diméthyltétrahydrofuro[3,4-d][1,3]dioxol-4-yl}méthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 529.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 274.2±30.1 °C
Index of Refraction: 1.514
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.33
ACD/KOC (pH 5.5): 1393.78
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.33
ACD/KOC (pH 7.4): 1393.78
Polar Surface Area: 98 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 347.2±3.0 cm3

Click to predict properties on the Chemicalize site


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