ChemSpider 2D Image | Tetraethyl (2S,3S)-2,3-bis[4-(methoxycarbonyl)phenyl]-1,1,4,4-butanetetracarboxylate | C32H38O12

Tetraethyl (2S,3S)-2,3-bis[4-(methoxycarbonyl)phenyl]-1,1,4,4-butanetetracarboxylate

  • Molecular FormulaC32H38O12
  • Average mass614.637 Da
  • Monoisotopic mass614.236328 Da
  • ChemSpider ID13103459

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2,3-Bis[4-(méthoxycarbonyl)phényl]-1,1,4,4-butanetétracarboxylate de tétraéthyle [French] [ACD/IUPAC Name]
1,1,4,4-Butanetetracarboxylic acid, 2,3-bis[4-(methoxycarbonyl)phenyl]-, tetraethyl ester, (2S,3S)- [ACD/Index Name]
Tetraethyl (2S,3S)-2,3-bis[4-(methoxycarbonyl)phenyl]-1,1,4,4-butanetetracarboxylate [ACD/IUPAC Name]
Tetraethyl-(2S,3S)-2,3-bis[4-(methoxycarbonyl)phenyl]-1,1,4,4-butantetracarboxylat [German] [ACD/IUPAC 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: 661.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 272.4±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 155.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9764.79
ACD/KOC (pH 5.5): 24968.38
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9763.91
ACD/KOC (pH 7.4): 24966.11
Polar Surface Area: 158 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 506.0±3.0 cm3

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