ChemSpider 2D Image | Dimethyl (4R,5R)-2-{3-[(4R,5R)-4,5-bis(methoxycarbonyl)-2-phenyl-1,3-dioxolan-2-yl]phenyl}-2-ethyl-1,3-dioxolane-4,5-dicarboxylate | C28H30O12

Dimethyl (4R,5R)-2-{3-[(4R,5R)-4,5-bis(methoxycarbonyl)-2-phenyl-1,3-dioxolan-2-yl]phenyl}-2-ethyl-1,3-dioxolane-4,5-dicarboxylate

  • Molecular FormulaC28H30O12
  • Average mass558.531 Da
  • Monoisotopic mass558.173706 Da
  • ChemSpider ID9299678

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R,5R)-2-{3-[(4R,5R)-4,5-Bis(méthoxycarbonyl)-2-phényl-1,3-dioxolan-2-yl]phényl}-2-éthyl-1,3-dioxolane-4,5-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1,3-Dioxolane-4,5-dicarboxylic acid, 2-[3-[(4R,5R)-4,5-bis(methoxycarbonyl)-2-phenyl-1,3-dioxolan-2-yl]phenyl]-2-ethyl-, dimethyl ester, (4R,5R)- [ACD/Index Name]
Dimethyl (4R,5R)-2-{3-[(4R,5R)-4,5-bis(methoxycarbonyl)-2-phenyl-1,3-dioxolan-2-yl]phenyl}-2-ethyl-1,3-dioxolane-4,5-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(4R,5R)-2-{3-[(4R,5R)-4,5-bis(methoxycarbonyl)-2-phenyl-1,3-dioxolan-2-yl]phenyl}-2-ethyl-1,3-dioxolan-4,5-dicarboxylat [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: 604.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 254.5±30.2 °C
Index of Refraction: 1.537
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2893.19
ACD/KOC (pH 5.5): 10453.19
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2893.19
ACD/KOC (pH 7.4): 10453.19
Polar Surface Area: 142 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 429.6±3.0 cm3

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