ChemSpider 2D Image | Methyl (5alpha,6beta,7beta,8alpha,12beta,19alpha)-15-hydroxy-16,17-dimethoxy-8-[(2beta,5alpha,6beta,7beta,12beta,19alpha)-1-methyl-6,7-epoxyaspidospermidin-15-yl]-2,3-didehydro-6,7-epoxyaspidospermidi ne-3-carboxylate | C43H52N4O7

Methyl (5α,6β,7β,8α,12β,19α)-15-hydroxy-16,17-dimethoxy-8-[(2β,5α,6β,7β,12β,19α)-1-methyl-6,7-epoxyaspidospermidin-15-yl]-2,3-didehydro-6,7-epoxyaspidospermidi ne-3-carboxylate

  • Molecular FormulaC43H52N4O7
  • Average mass736.896 Da
  • Monoisotopic mass736.383606 Da
  • ChemSpider ID30824499

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(5α,6β,7β,8α,12β,19α)-15-Hydroxy-16,17-diméthoxy-8-[(2β,5α,6β,7β,12β,19α)-1-méthyl-6,7-époxyaspidospermidin-15-yl]-2,3-didéhydro-6,7-époxyaspidospermidine-3-ca rboxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 2,3-didehydro-6,7-epoxy-8-[(2β,5α,6β,7β,12β,19α)-6,7-epoxy-1-methylaspidospermidin-15-yl]-15-hydroxy-16,17-dimethoxy-, methyl ester, (5α,6be ta,7β,8α,12β,19α)- [ACD/Index Name]
Methyl (5α,6β,7β,8α,12β,19α)-15-hydroxy-16,17-dimethoxy-8-[(2β,5α,6β,7β,12β,19α)-1-methyl-6,7-epoxyaspidospermidin-15-yl]-2,3-didehydro-6,7-epoxyaspidospermidi ne-3-carboxylate [ACD/IUPAC Name]
Methyl-(5α,6β,7β,8α,12β,19α)-15-hydroxy-16,17-dimethoxy-8-[(2β,5α,6β,7β,12β,19α)-1-methyl-6,7-epoxyaspidospermidin-15-yl]-2,3-didehydro-6,7-epoxyaspidospermidi n-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: 1.711
Molar Refractivity: 199.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 43.91
ACD/KOC (pH 7.4): 173.16
Polar Surface Area: 112 Å2
Polarizability: 79.1±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 510.2±5.0 cm3

Click to predict properties on the Chemicalize site


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