ChemSpider 2D Image | (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-13-yl]-1 -formyl-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-6,7-didehydroaspidospermidin-9-ium | C46H58N4O10

(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-13-yl]-1 -formyl-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-6,7-didehydroaspidospermidin-9-ium

  • Molecular FormulaC46H58N4O10
  • Average mass826.972 Da
  • Monoisotopic mass826.414185 Da
  • ChemSpider ID21258750

  • 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-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-13-yl]-1 -formyl-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-6,7-didehydroaspidospermidin-9-ium [ACD/IUPAC Name]
(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-13-yl]-1 -formyl-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-6,7-didehydroaspidospermidin-9-ium [German] [ACD/IUPAC Name]
(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-3-(méthoxycarbonyl)-6,7-didéhydroaspidospermidin-9-ium [French] [ACD/IUPAC Name]
Vincaleukoblastine, 22-oxo-, conjugate diacid, (2'β,6'β)- [ACD/Index Name]
vincristine [INN] [Wiki]
vincristine(2+)
  • Miscellaneous

    • Chemical Class:

      A vinca alkaloid cation resulting from the protonation of the two tertiary amino groups of vincristine. Major species at pH 7.3. ChEBI CHEBI:143658

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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: 174 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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