ChemSpider 2D Image | Diethyl (2R,3R)-2,3-bis[4-hydroxy-3-methoxy-5-(2-methyl-2-propanyl)benzyl]succinate | C32H46O8

Diethyl (2R,3R)-2,3-bis[4-hydroxy-3-methoxy-5-(2-methyl-2-propanyl)benzyl]succinate

  • Molecular FormulaC32H46O8
  • Average mass558.703 Da
  • Monoisotopic mass558.319275 Da
  • ChemSpider ID9759649

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2,3-Bis[4-hydroxy-3-méthoxy-5-(2-méthyl-2-propanyl)benzyl]succinate de diéthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2,3-bis[[3-(1,1-dimethylethyl)-4-hydroxy-5-methoxyphenyl]methyl]-, diethyl ester, (2R,3R)- [ACD/Index Name]
Diethyl (2R,3R)-2,3-bis[4-hydroxy-3-methoxy-5-(2-methyl-2-propanyl)benzyl]succinate [ACD/IUPAC Name]
Diethyl-(2R,3R)-2,3-bis[4-hydroxy-3-methoxy-5-(2-methyl-2-propanyl)benzyl]succinat [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: 652.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 198.9±25.0 °C
Index of Refraction: 1.530
Molar Refractivity: 154.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 54541.16
ACD/KOC (pH 5.5): 85532.05
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 54525.41
ACD/KOC (pH 7.4): 85507.36
Polar Surface Area: 112 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 501.0±3.0 cm3

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