ChemSpider 2D Image | Methyl (3alpha,15alpha,19E)-16-(hydroxymethyl)-3-[(2alpha)-12-methoxyibogamin-13-yl]vobasan-17-oate | C42H52N4O4

Methyl (3α,15α,19E)-16-(hydroxymethyl)-3-[(2α)-12-methoxyibogamin-13-yl]vobasan-17-oate

  • Molecular FormulaC42H52N4O4
  • Average mass676.887 Da
  • Monoisotopic mass676.398865 Da
  • ChemSpider ID59006798

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,15α,19E)-16-(Hydroxyméthyl)-3-[(2α)-12-méthoxyibogamin-13-yl]vobasan-17-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (3α,15α,19E)-16-(hydroxymethyl)-3-[(2α)-12-methoxyibogamin-13-yl]vobasan-17-oate [ACD/IUPAC Name]
Methyl-(3α,15α,19E)-16-(hydroxymethyl)-3-[(2α)-12-methoxyibogamin-13-yl]vobasan-17-oat [German] [ACD/IUPAC Name]
Vobasan-17-oic acid, 16-(hydroxymethyl)-3-[(2α)-12-methoxyibogamin-13-yl]-, methyl ester, (3α,15α,19E)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 197.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 9.56
ACD/KOC (pH 5.5): 12.40
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 759.43
ACD/KOC (pH 7.4): 985.22
Polar Surface Area: 94 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 516.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement