ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (2R,3R)-2,3-bis{[(2E)-3-(2-oxo-1,3-benzodioxol-5-yl)-2-propenoyl]oxy}succinate | C32H30O14

Bis(2-methyl-2-propanyl) (2R,3R)-2,3-bis{[(2E)-3-(2-oxo-1,3-benzodioxol-5-yl)-2-propenoyl]oxy}succinate

  • Molecular FormulaC32H30O14
  • Average mass638.572 Da
  • Monoisotopic mass638.163574 Da
  • ChemSpider ID26600675
  • Double-bond stereo - Double-bond stereo

    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{[(2E)-3-(2-oxo-1,3-benzodioxol-5-yl)-2-propenoyl]oxy}succinate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) (2R,3R)-2,3-bis{[(2E)-3-(2-oxo-1,3-benzodioxol-5-yl)-2-propenoyl]oxy}succinate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(2R,3R)-2,3-bis{[(2E)-3-(2-oxo-1,3-benzodioxol-5-yl)-2-propenoyl]oxy}succinat [German] [ACD/IUPAC Name]
Butanedioic acid, 2,3-bis[[(2E)-1-oxo-3-(2-oxo-1,3-benzodioxol-5-yl)-2-propen-1-yl]oxy]-, bis(1,1-dimethylethyl) ester, (2R,3R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 720.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 298.5±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 157.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25304.11
ACD/KOC (pH 5.5): 49361.62
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25304.11
ACD/KOC (pH 7.4): 49361.62
Polar Surface Area: 176 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 460.5±3.0 cm3

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