ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (2R,3R)-2,3-bis[(4-nitrobenzoyl)oxy]succinate | C26H28N2O12

Bis(2-methyl-2-propanyl) (2R,3R)-2,3-bis[(4-nitrobenzoyl)oxy]succinate

  • Molecular FormulaC26H28N2O12
  • Average mass560.507 Da
  • Monoisotopic mass560.164246 Da
  • ChemSpider ID26580003

  • 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-nitrobenzoyl)oxy]succinate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) (2R,3R)-2,3-bis[(4-nitrobenzoyl)oxy]succinate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(2R,3R)-2,3-bis[(4-nitrobenzoyl)oxy]succinat [German] [ACD/IUPAC Name]
Butanedioic acid, 2,3-bis[(4-nitrobenzoyl)oxy]-, 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: 1.3±0.1 g/cm3
Boiling Point: 666.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 235.1±33.5 °C
Index of Refraction: 1.561
Molar Refractivity: 136.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21793.57
ACD/KOC (pH 5.5): 44356.95
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21793.57
ACD/KOC (pH 7.4): 44356.95
Polar Surface Area: 197 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 422.7±3.0 cm3

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