ChemSpider 2D Image | GABUNAMINE | C42H50N4O5

GABUNAMINE

  • Molecular FormulaC42H50N4O5
  • Average mass690.870 Da
  • Monoisotopic mass690.378113 Da
  • ChemSpider ID10128227

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2α)-12-[(1R,12R,14R,15E)-15-Éthylidène-18-(méthoxycarbonyl)-10,17-diazatétracyclo[12.3.1.03,11.04,9]octadéca-3(11),4,6,8-tétraén-12-yl]-13-méthoxyibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
GABUNAMINE
Ibogamine-18-carboxylic acid, 12-[(2R,5E,6R,8R)-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-14-(methoxycarbonyl)-2,6-methano-1H-azecino[5,4-b]indol-8-yl]-13-methoxy-, methyl ester, (2α)- [ACD/Index Name]
Methyl (2α)-12-[(1R,12R,14R,15E)-15-ethylidene-18-(methoxycarbonyl)-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-13-methoxyibogamine-18-carboxylate [ACD/IUPAC Name]
Methyl-(2α)-12-[(1R,12R,14R,15E)-15-ethyliden-18-(methoxycarbonyl)-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-13-methoxyibogamin-18-carboxylat [German] [ACD/IUPAC Name]
66086-99-5 [RN]

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

C09193 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 197.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 5.84
ACD/KOC (pH 5.5): 8.63
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 641.36
ACD/KOC (pH 7.4): 948.38
Polar Surface Area: 109 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 523.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement