ChemSpider 2D Image | Dimethyl {[(2S,4S,6R,10R)-10-(2-methoxyethoxy)-2,4-diphenyl-1,5-dioxecan-6-yl]methyl}malonate | C29H38O8

Dimethyl {[(2S,4S,6R,10R)-10-(2-methoxyethoxy)-2,4-diphenyl-1,5-dioxecan-6-yl]methyl}malonate

  • Molecular FormulaC29H38O8
  • Average mass514.607 Da
  • Monoisotopic mass514.256653 Da
  • ChemSpider ID8943463

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{[(2S,4S,6R,10R)-10-(2-Méthoxyéthoxy)-2,4-diphényl-1,5-dioxécan-6-yl]méthyl}malonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl {[(2S,4S,6R,10R)-10-(2-methoxyethoxy)-2,4-diphenyl-1,5-dioxecan-6-yl]methyl}malonate [ACD/IUPAC Name]
Dimethyl-{[(2S,4S,6R,10R)-10-(2-methoxyethoxy)-2,4-diphenyl-1,5-dioxecan-6-yl]methyl}malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[[(2S,4S,6R,10R)-10-(2-methoxyethoxy)-2,4-diphenyl-1,5-dioxecan-6-yl]methyl]-, dimethyl ester [ACD/Index 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: 605.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 254.1±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2196.17
ACD/KOC (pH 5.5): 8581.46
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2196.15
ACD/KOC (pH 7.4): 8581.39
Polar Surface Area: 90 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 440.7±5.0 cm3

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