ChemSpider 2D Image | Methyl 4-acetoxy-15-[17-ethyl-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0~4,12~.0~5,10~]nonadeca-4(12),5,7,9-tetraen-13-yl]-1-formyl-3-hydroxy-16-methoxyaspidospermidine-3-carboxylate | C46H58N4O9

Methyl 4-acetoxy-15-[17-ethyl-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-1-formyl-3-hydroxy-16-methoxyaspidospermidine-3-carboxylate

  • Molecular FormulaC46H58N4O9
  • Average mass810.974 Da
  • Monoisotopic mass810.420349 Da
  • ChemSpider ID381612

More details:






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

4-Acétoxy-15-[17-éthyl-13-(méthoxycarbonyl)-1,11-diazatétracyclo[13.3.1.04,12.05,10]nonadéca-4(12),5,7,9-tétraén-13-yl]-1-formyl-3-hydroxy-16-méthoxyaspidospermidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-15-[5-ethyl-1,4,5,6,7,8,9,10-octahydro-9-(methoxycarbonyl)-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-1-formyl-3-hydroxy-16-methoxy-, methyl est er [ACD/Index Name]
Methyl 4-acetoxy-15-[17-ethyl-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-1-formyl-3-hydroxy-16-methoxyaspidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-4-acetoxy-15-[17-ethyl-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-1-formyl-3-hydroxy-16-methoxyaspidospermidin-3-carboxylat [German] [ACD/IUPAC Name]
Vincaleukoblastine, 4'-deoxy-6,7-dihydro-22-oxo-, monohydrochloride, (4'α)-

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

NSC294137 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 219.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 28.85
ACD/KOC (pH 7.4): 133.41
Polar Surface Area: 151 Å2
Polarizability: 87.1±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 596.6±5.0 cm3

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