ChemSpider 2D Image | 12-Methoxy-1,11,16-trioxopicrasa-2,12-dien-2-yl N-[(2,2-dimethylpropanoyl)oxy]valinate | C31H43NO9

12-Methoxy-1,11,16-trioxopicrasa-2,12-dien-2-yl N-[(2,2-dimethylpropanoyl)oxy]valinate

  • Molecular FormulaC31H43NO9
  • Average mass573.674 Da
  • Monoisotopic mass573.293762 Da
  • ChemSpider ID8992249

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

12-Methoxy-1,11,16-trioxopicrasa-2,12-dien-2-yl N-[(2,2-dimethylpropanoyl)oxy]valinate [ACD/IUPAC Name]
12-Methoxy-1,11,16-trioxopicrasa-2,12-dien-2-yl-N-[(2,2-dimethylpropanoyl)oxy]valinat [German] [ACD/IUPAC Name]
N-[(2,2-Diméthylpropanoyl)oxy]valinate de 12-méthoxy-1,11,16-trioxopicrasa-2,12-dién-2-yle [French] [ACD/IUPAC Name]
Valine, N-(2,2-dimethyl-1-oxopropoxy)-, 12-methoxy-1,11,16-trioxopicrasa-2,12-dien-2-yl ester [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: 707.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.9±35.7 °C
Index of Refraction: 1.545
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2315.76
ACD/KOC (pH 5.5): 8913.41
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2315.76
ACD/KOC (pH 7.4): 8913.41
Polar Surface Area: 134 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 467.3±5.0 cm3

Click to predict properties on the Chemicalize site


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