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Search term: YMBSVLZQDXJXER (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(3aR,6R)-2,2-Dimethyl-6-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-4-oxodihydrofuro[3,4-d][1,3]dioxol-3a(4H)-yl]methyl trifluoromethanesulfonate | C26H31F3O8SSi

[(3aR,6R)-2,2-Dimethyl-6-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-4-oxodihydrofuro[3,4-d][1,3]dioxol-3a(4H)-yl]methyl trifluoromethanesulfonate

  • Molecular FormulaC26H31F3O8SSi
  • Average mass588.665 Da
  • Monoisotopic mass588.146118 Da
  • ChemSpider ID30650723

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

[(3aR,6R)-2,2-Dimethyl-6-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-4-oxodihydrofuro[3,4-d][1,3]dioxol-3a(4H)-yl]methyl trifluoromethanesulfonate [ACD/IUPAC Name]
[(3aR,6R)-2,2-Dimethyl-6-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-4-oxodihydrofuro[3,4-d][1,3]dioxol-3a(4H)-yl]methyl-trifluormethansulfonat [German] [ACD/IUPAC Name]
Trifluorométhanesulfonate de [(3aR,6R)-2,2-diméthyl-6-({[(2-méthyl-2-propanyl)(diphényl)silyl]oxy}méthyl)-4-oxodihydrofuro[3,4-d][1,3]dioxol-3a(4H)-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 571.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.3±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.69
ACD/LogD (pH 5.5): 6.84
ACD/BCF (pH 5.5): 92620.93
ACD/KOC (pH 5.5): 124953.89
ACD/LogD (pH 7.4): 6.84
ACD/BCF (pH 7.4): 92620.93
ACD/KOC (pH 7.4): 124953.89
Polar Surface Area: 106 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 439.5±5.0 cm3

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