ChemSpider 2D Image | Methyl (2alpha,3beta,5alpha,6alpha,7alpha,8alpha)-8-[(5alpha,12beta,19alpha)-16-hydroxy-3-(methoxycarbonyl)-2,3,6,7-tetradehydroaspidospermidin-15-yl]-6,7-epoxyaspidofractinine-3-carboxylate | C42H46N4O6

Methyl (2α,3β,5α,6α,7α,8α)-8-[(5α,12β,19α)-16-hydroxy-3-(methoxycarbonyl)-2,3,6,7-tetradehydroaspidospermidin-15-yl]-6,7-epoxyaspidofractinine-3-carboxylate

  • Molecular FormulaC42H46N4O6
  • Average mass702.838 Da
  • Monoisotopic mass702.341736 Da
  • ChemSpider ID31130299

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3β,5α,6α,7α,8α)-8-[(5α,12β,19α)-16-Hydroxy-3-(méthoxycarbonyl)-2,3,6,7-tétradéhydroaspidospermidin-15-yl]-6,7-époxyaspidofractinine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-15-[(3β,5α,6α,7α,8α,12β,19α)-6,7-epoxy-3-(methoxycarbonyl)-2,21-cycloaspidospermidin-8-yl]-16-hydroxy-, methyl ester, (5α,12β,19α)- [ACD/Index Name]
Methyl (2α,3β,5α,6α,7α,8α)-8-[(5α,12β,19α)-16-hydroxy-3-(methoxycarbonyl)-2,3,6,7-tetradehydroaspidospermidin-15-yl]-6,7-epoxyaspidofractinine-3-carboxylate [ACD/IUPAC Name]
Methyl-(2α,3β,5α,6α,7α,8α)-8-[(5α,12β,19α)-16-hydroxy-3-(methoxycarbonyl)-2,3,6,7-tetradehydroaspidospermidin-15-yl]-6,7-epoxyaspidofractinin-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: 1.741
Molar Refractivity: 191.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 211.34
ACD/KOC (pH 7.4): 943.53
Polar Surface Area: 116 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 473.7±5.0 cm3

Click to predict properties on the Chemicalize site


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