ChemSpider 2D Image | Methyl (2beta,5beta,21beta)-16-[(14beta,20R)-20-hydroxy-14,15-dihydroeburnamenin-14-yl]aspidofractinine-21-carboxylate | C40H48N4O3

Methyl (2β,5β,21β)-16-[(14β,20R)-20-hydroxy-14,15-dihydroeburnamenin-14-yl]aspidofractinine-21-carboxylate

  • Molecular FormulaC40H48N4O3
  • Average mass632.834 Da
  • Monoisotopic mass632.372620 Da
  • ChemSpider ID58913252

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2β,5β,21β)-16-[(14β,20R)-20-Hydroxy-14,15-dihydroeburnamenin-14-yl]aspidofractinine-21-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (2β,5β,21β)-16-[(14β,20R)-20-hydroxy-14,15-dihydroeburnamenin-14-yl]aspidofractinine-21-carboxylate [ACD/IUPAC Name]
Methyl-(2β,5β,21β)-16-[(14β,20R)-20-hydroxy-14,15-dihydroeburnamenin-14-yl]aspidofractinin-21-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: 1.796
Molar Refractivity: 178.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 3.14
ACD/KOC (pH 7.4): 8.40
Polar Surface Area: 70 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 65.6±7.0 dyne/cm
Molar Volume: 419.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement