ChemSpider 2D Image | Methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-acetoxy-15-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-11-aza-1-azoniatetracyclo[13.3.1.0~4,12~.0~5,10~]nonadeca-4(12),5,7,9-tetraen-1 3-yl]-1-formyl-3-hydroxy-16-methoxy-6,7-didehydroaspidospermidine-3-carboxylate | C46H57N4O10

Methyl (2β,3β,4β,5α,12β,19α)-4-acetoxy-15-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-1 3-yl]-1-formyl-3-hydroxy-16-methoxy-6,7-didehydroaspidospermidine-3-carboxylate

  • Molecular FormulaC46H57N4O10
  • Average mass825.965 Da
  • Monoisotopic mass825.406921 Da
  • ChemSpider ID21258789

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2β,3β,4β,5α,12β,19α)-4-Acétoxy-15-[(1S,13S,15S,17S)-17-éthyl-17-hydroxy-13-(méthoxycarbonyl)-11-aza-1-azoniatétracyclo[13.3.1.04,12.05,10]nonadéca-4(12),5,7,9-tétraén-13-yl]-1 -formyl-3-hydroxy-16-méthoxy-6,7-didéhydroaspidospermidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (2β,3β,4β,5α,12β,19α)-4-acetoxy-15-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-1 
3-yl]-1-formyl-3-hydroxy-16-methoxy-6,7-didehydroaspidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-(2β,3β,4β,5α,12β,19α)-4-acetoxy-15-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-1 
3-yl]-1-formyl-3-hydroxy-16-methoxy-6,7-didehydroaspidospermidin-3-carboxylat [German] [ACD/IUPAC Name]
Vincaleukoblastine, 22-oxo-, conjugate monoacid, (2'β,6'β)- [ACD/Index Name]

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

Density:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.12
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 41.31
ACD/KOC (pH 7.4): 349.10
Polar Surface Area: 172 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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