ChemSpider 2D Image | 20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl 2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoate | C36H48N2O10

20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl 2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoate

  • Molecular FormulaC36H48N2O10
  • Average mass668.774 Da
  • Monoisotopic mass668.330872 Da
  • ChemSpider ID4012

More details:

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

2-(3-Méthyl-2,5-dioxo-1-pyrrolidinyl)benzoate de 20-éthyl-7,8-dihydroxy-1,6,14,16-tétraméthoxyaconitan-4-yle [French] [ACD/IUPAC Name]
20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl 2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoate [ACD/IUPAC Name]
20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl-2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)-, 20-ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 797.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 436.0±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 171.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.15
ACD/KOC (pH 5.5): 332.52
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.08
ACD/KOC (pH 7.4): 359.10
Polar Surface Area: 144 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 480.2±5.0 cm3

Click to predict properties on the Chemicalize site


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