ChemSpider 2D Image | Methyl (3alpha,5alpha,12beta,20R)-15-[(3alpha,14alpha,16alpha)-14,15-dihydroeburnamenin-14-yl]-6,7-didehydro-2,20-cycloaspidospermidine-3-carboxylate | C40H46N4O2

Methyl (3α,5α,12β,20R)-15-[(3α,14α,16α)-14,15-dihydroeburnamenin-14-yl]-6,7-didehydro-2,20-cycloaspidospermidine-3-carboxylate

  • Molecular FormulaC40H46N4O2
  • Average mass614.819 Da
  • Monoisotopic mass614.362061 Da
  • ChemSpider ID25028407

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,5α,12β,20R)-15-[(3α,14α,16α)-14,15-Dihydroeburnamenin-14-yl]-6,7-didéhydro-2,20-cycloaspidospermidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
2,20-Cycloaspidospermidine-3-carboxylic acid, 6,7-didehydro-15-[(3α,14α,16α)-14,15-dihydroeburnamenin-14-yl]-, methyl ester, (3α,5α,12β,20R)- [ACD/Index Name]
Methyl (3α,5α,12β,20R)-15-[(3α,14α,16α)-14,15-dihydroeburnamenin-14-yl]-6,7-didehydro-2,20-cycloaspidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-(3α,5α,12β,20R)-15-[(3α,14α,16α)-14,15-dihydroeburnamenin-14-yl]-6,7-didehydro-2,20-cycloaspidospermidin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.785
Molar Refractivity: 177.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 4.11
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 143.70
ACD/KOC (pH 7.4): 282.26
Polar Surface Area: 50 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 421.2±7.0 cm3

Click to predict properties on the Chemicalize site


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