ChemSpider 2D Image | 11-Ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azapentacyclo[7.7.2.1~2,5~.0~3,8~.0~13,17~]nonadec-13-yl 2-acetamidobenzoate | C32H46N2O8

11-Ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azapentacyclo[7.7.2.12,5.03,8.013,17]nonadec-13-yl 2-acetamidobenzoate

  • Molecular FormulaC32H46N2O8
  • Average mass586.716 Da
  • Monoisotopic mass586.325439 Da
  • ChemSpider ID3185217

More details:

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

11-Ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azapentacyclo[7.7.2.12,5.03,8.013,17]nonadec-13-yl 2-acetamidobenzoate [ACD/IUPAC Name]
11-Ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azapentacyclo[7.7.2.12,5.03,8.013,17]nonadec-13-yl-2-acetamidobenzoat [German] [ACD/IUPAC Name]
2-Acétamidobenzoate de 11-éthyl-3,8-dihydroxy-4,6,16-triméthoxy-11-azapentacyclo[7.7.2.12,5.03,8.013,17]nonadéc-13-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(acetylamino)-, 13-ethyltetradecahydro-5a,9a-dihydroxy-4,6,8-trimethoxy-5,7-methano-1,10-(methanoiminomethano)-1H-dibenzo[a,d]cyclohepten-1-yl ester [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: 714.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.9±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 3.93
ACD/KOC (pH 5.5): 45.41
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 42.40
ACD/KOC (pH 7.4): 489.66
Polar Surface Area: 127 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 450.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement