ChemSpider 2D Image | Ethyl (2R,3aR,4S,6S,6aR)-2-(4-methoxyphenyl)-6-{[(4-methoxyphenyl)(diphenyl)methoxy]methyl}-5-methylenetetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl carbonate | C38H38O8

Ethyl (2R,3aR,4S,6S,6aR)-2-(4-methoxyphenyl)-6-{[(4-methoxyphenyl)(diphenyl)methoxy]methyl}-5-methylenetetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl carbonate

  • Molecular FormulaC38H38O8
  • Average mass622.703 Da
  • Monoisotopic mass622.256653 Da
  • ChemSpider ID9494520

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Carbonate d'éthyle et de (2R,3aR,4S,6S,6aR)-2-(4-méthoxyphényl)-6-{[(4-méthoxyphényl)(diphényl)méthoxy]méthyl}-5-méthylènetétrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yle [French] [ACD/IUPAC Name]
Carbonic acid, ethyl (2R,3aR,4S,6S,6aR)-tetrahydro-2-(4-methoxyphenyl)-6-[[(4-methoxyphenyl)diphenylmethoxy]methyl]-5-methylene-4H-cyclopenta[d]-1,3-dioxol-4-yl ester [ACD/Index Name]
Ethyl (2R,3aR,4S,6S,6aR)-2-(4-methoxyphenyl)-6-{[(4-methoxyphenyl)(diphenyl)methoxy]methyl}-5-methylenetetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl carbonate [ACD/IUPAC Name]
Ethyl-(2R,3aR,4S,6S,6aR)-2-(4-methoxyphenyl)-6-{[(4-methoxyphenyl)(diphenyl)methoxy]methyl}-5-methylentetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ylcarbonat [German] [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: 724.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 297.4±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 173.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.42
ACD/LogD (pH 5.5): 7.87
ACD/BCF (pH 5.5): 567545.50
ACD/KOC (pH 5.5): 457387.75
ACD/LogD (pH 7.4): 7.87
ACD/BCF (pH 7.4): 567545.50
ACD/KOC (pH 7.4): 457387.75
Polar Surface Area: 82 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 493.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement