ChemSpider 2D Image | Methyl (5alpha,12beta,19alpha)-15-[(3alpha,14alpha,16alpha)-14,15-dihydroeburnamenin-14-yl]-16-methoxy-1,2,3,4,6,7-hexadehydroaspidospermidine-3-carboxylate | C41H46N4O3

Methyl (5α,12β,19α)-15-[(3α,14α,16α)-14,15-dihydroeburnamenin-14-yl]-16-methoxy-1,2,3,4,6,7-hexadehydroaspidospermidine-3-carboxylate

  • Molecular FormulaC41H46N4O3
  • Average mass642.829 Da
  • Monoisotopic mass642.356995 Da
  • ChemSpider ID8253458

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5α,12β,19α)-15-[(3α,14α,16α)-14,15-Dihydroeburnamenin-14-yl]-16-méthoxy-1,2,3,4,6,7-hexadéhydroaspidospermidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 1,2,3,4,6,7-hexadehydro-15-[(3α,14α,16α)-14,15-dihydroeburnamenin-14-yl]-16-methoxy-, methyl ester, (5α,12β,19α)- [ACD/Index Name]
Methyl (5α,12β,19α)-15-[(3α,14α,16α)-14,15-dihydroeburnamenin-14-yl]-16-methoxy-1,2,3,4,6,7-hexadehydroaspidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-(5α,12β,19α)-15-[(3α,14α,16α)-14,15-dihydroeburnamenin-14-yl]-16-methoxy-1,2,3,4,6,7-hexadehydroaspidospermidin-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: 1.727
Molar Refractivity: 185.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 7.47
ACD/KOC (pH 5.5): 12.90
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 845.82
ACD/KOC (pH 7.4): 1460.12
Polar Surface Area: 59 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 465.9±7.0 cm3

Click to predict properties on the Chemicalize site


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