ChemSpider 2D Image | Gambirtannine | C21H18N2O2

Gambirtannine

  • Molecular FormulaC21H18N2O2
  • Average mass330.380 Da
  • Monoisotopic mass330.136841 Da
  • ChemSpider ID26233592

More details:

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

3,14,15,16,17,18,19,20-Octadéhydroyohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Gambirtannine
Methyl 3,14,15,16,17,18,19,20-octadehydroyohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-3,14,15,16,17,18,19,20-octadehydrojohimban-16-carboxylat [German] [ACD/IUPAC Name]
Yohimban-16-carboxylic acid, 3,14,15,16,17,18,19,20-octadehydro-, methyl ester [ACD/Index Name]
5,7,8,13-Tetrahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester
C17533

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

Density: 1.4±0.1 g/cm3
Boiling Point: 616.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.5±31.5 °C
Index of Refraction: 1.732
Molar Refractivity: 96.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3111.01
ACD/KOC (pH 5.5): 10847.81
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3276.25
ACD/KOC (pH 7.4): 11423.99
Polar Surface Area: 45 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 241.6±5.0 cm3

Click to predict properties on the Chemicalize site


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