ChemSpider 2D Image | Methyl (2alpha,3alpha,5alpha)-15-(14,15-dihydroeburnamenin-14-yl)-1-methylaspidofractinine-3-carboxylate | C41H50N4O2

Methyl (2α,3α,5α)-15-(14,15-dihydroeburnamenin-14-yl)-1-methylaspidofractinine-3-carboxylate

  • Molecular FormulaC41H50N4O2
  • Average mass630.861 Da
  • Monoisotopic mass630.393372 Da
  • ChemSpider ID8433961

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2α,3α,5α)-15-(14,15-Dihydroeburnamenin-14-yl)-1-méthylaspidofractinine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
2,21-Cycloaspidospermidine-3-carboxylic acid, 15-(14,15-dihydroeburnamenin-14-yl)-1-methyl-, methyl ester, (3α,5α,12β,19α)- [ACD/Index Name]
Methyl (2α,3α,5α)-15-(14,15-dihydroeburnamenin-14-yl)-1-methylaspidofractinine-3-carboxylate [ACD/IUPAC Name]
Methyl-(2α,3α,5α)-15-(14,15-dihydroeburnamenin-14-yl)-1-methylaspidofractinin-3-carboxylat [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.764
Molar Refractivity: 183.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 6.15
ACD/KOC (pH 5.5): 8.60
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 41.84
ACD/KOC (pH 7.4): 58.46
Polar Surface Area: 41 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 443.3±7.0 cm3

Click to predict properties on the Chemicalize site


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