ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (2R,3R)-2-{[(2E)-3-(4-acetoxyphenyl)-2-propenoyl]oxy}-3-hydroxysuccinate | C23H30O9

Bis(2-methyl-2-propanyl) (2R,3R)-2-{[(2E)-3-(4-acetoxyphenyl)-2-propenoyl]oxy}-3-hydroxysuccinate

  • Molecular FormulaC23H30O9
  • Average mass450.479 Da
  • Monoisotopic mass450.188995 Da
  • ChemSpider ID30657418

  • 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-{[(2E)-3-(4-Acétoxyphényl)-2-propenoyl]oxy}-3-hydroxysuccinate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) (2R,3R)-2-{[(2E)-3-(4-acetoxyphenyl)-2-propenoyl]oxy}-3-hydroxysuccinate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(2R,3R)-2-{[(2E)-3-(4-acetoxyphenyl)-2-propenoyl]oxy}-3-hydroxysuccinat [German] [ACD/IUPAC Name]
Butanedioic acid, 2-[[(2E)-3-[4-(acetyloxy)phenyl]-1-oxo-2-propen-1-yl]oxy]-3-hydroxy-, bis(1,1-dimethylethyl) ester, (2R,3R)- [ACD/Index 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: 567.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 185.7±23.6 °C
Index of Refraction: 1.530
Molar Refractivity: 115.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 425.84
ACD/KOC (pH 5.5): 2652.27
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 425.78
ACD/KOC (pH 7.4): 2651.87
Polar Surface Area: 125 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 374.9±3.0 cm3

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