ChemSpider 2D Image | Benzyl (4R,5R)-4-(2-{3-[3-(methoxycarbonyl)benzyl]phenyl}ethyl)-2,2-dimethyl-1,3-dioxane-5-carboxylate | C31H34O6

Benzyl (4R,5R)-4-(2-{3-[3-(methoxycarbonyl)benzyl]phenyl}ethyl)-2,2-dimethyl-1,3-dioxane-5-carboxylate

  • Molecular FormulaC31H34O6
  • Average mass502.598 Da
  • Monoisotopic mass502.235535 Da
  • ChemSpider ID8634143

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,5R)-4-(2-{3-[3-(Méthoxycarbonyl)benzyl]phényl}éthyl)-2,2-diméthyl-1,3-dioxane-5-carboxylate de benzyle [French] [ACD/IUPAC Name]
1,3-Dioxane-5-carboxylic acid, 4-[2-[3-[[3-(methoxycarbonyl)phenyl]methyl]phenyl]ethyl]-2,2-dimethyl-, phenylmethyl ester, (4R,5R)- [ACD/Index Name]
Benzyl (4R,5R)-4-(2-{3-[3-(methoxycarbonyl)benzyl]phenyl}ethyl)-2,2-dimethyl-1,3-dioxane-5-carboxylate [ACD/IUPAC Name]
Benzyl-(4R,5R)-4-(2-{3-[3-(methoxycarbonyl)benzyl]phenyl}ethyl)-2,2-dimethyl-1,3-dioxan-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 604.4±55.0 °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: 254.1±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 141.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23805.64
ACD/KOC (pH 5.5): 47251.24
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23805.64
ACD/KOC (pH 7.4): 47251.24
Polar Surface Area: 71 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 440.8±3.0 cm3

Click to predict properties on the Chemicalize site


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