ChemSpider 2D Image | Methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-acetoxy-14-[(13S,15S,17S)-17-ethyl-17-hydroxy-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-methoxy-6,7-didehydroaspidospermidine-3-carboxylate | C46H56N4O10

Methyl (2β,3β,4β,5α,12β,19α)-4-acetoxy-14-[(13S,15S,17S)-17-ethyl-17-hydroxy-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-methoxy-6,7-didehydroaspidospermidine-3-carboxylate

  • Molecular FormulaC46H56N4O10
  • Average mass824.958 Da
  • Monoisotopic mass824.399658 Da
  • ChemSpider ID23326846

  • 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-14-[(13S,15S,17S)-17-éthyl-17-hydroxy-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-méthoxy-6,7-didéhydroaspidospermidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-14-[(5S,7S,9S)-5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-9-(methoxycarbonyl)-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-1-formy ;l-3-hydroxy-16-methoxy-, methyl ester, (2β,3β,4β,5α,12β,19α)- [ACD/Index Name]
Methyl (2β,3β,4β,5α,12β,19α)-4-acetoxy-14-[(13S,15S,17S)-17-ethyl-17-hydroxy-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-methoxy-6,7-didehydroaspidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-(2β,3β,4β,5α,12β,19α)-4-acetoxy-14-[(13S,15S,17S)-17-ethyl-17-hydroxy-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-methoxy-6,7-didehydroaspidospermidin-3-carboxylat [German] [ACD/IUPAC Name]
aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-14-[(5S,7S,9S)-5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-9-(methoxycarbonyl)-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-1-formyl-3-hydroxy-16-methoxy-, methyl ester, (2β,3β,4β,5α,12β,19α)-
methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-3-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
methyl (2β,3β,4β,5α,12β,19α)-4-(acetyloxy)-14-[(5S,7S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-1-formyl-3-hydroxy-16-methoxy-6,7-didehydroaspidospermidine-3-carboxylate
vincristine [INN] [Wiki]

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: 1.677
Molar Refractivity: 221.1±0.4 cm3
#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): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.97
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 37.02
ACD/KOC (pH 7.4): 333.61
Polar Surface Area: 171 Å2
Polarizability: 87.6±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 586.9±5.0 cm3

Click to predict properties on the Chemicalize site


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