ChemSpider 2D Image | Methyl (13S,15S,17S)-13-[(2beta,3beta,4beta,5alpha,12beta,19alpha)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.0~4 ,12~.0~5,10~]nonadeca-4,6,8,10-tetraene-13-carboxylate | C43H55N5O7

Methyl (13S,15S,17S)-13-[(2β,3β,4β,5α,12β,19α)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04 ,12.05,10]nonadeca-4,6,8,10-tetraene-13-carboxylate

  • Molecular FormulaC43H55N5O7
  • Average mass753.926 Da
  • Monoisotopic mass753.410156 Da
  • ChemSpider ID58995122

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(13S,15S,17S)-13-[(2β,3β,4β,5α,12β,19α)-3-Carbamoyl-3,4-dihydroxy-16-méthoxy-1-méthyl-6,7-didéhydroaspidospermidin-15-yl]-17-éthyl-17-hydroxy-1,11-diazatétracyclo[13.3.1.04,12.0 5,10]nonadéca-4,6,8,10-tétraène-13-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-3,7-Methanoazacycloundecino[5,4-b]indole-9-carboxylic acid, 9-[(2β,3β,4β,5α,12β,19α)-3-(aminocarbonyl)-6,7-didehydro-3,4-dihydroxy-16-methoxy-1-methylaspidospermidin-15-yl]-5-et hyl-1,4,5,6,7,8,9,9a-octahydro-5-hydroxy-, methyl ester, (5S,7S,9S)- [ACD/Index Name]
Methyl (13S,15S,17S)-13-[(2β,3β,4β,5α,12β,19α)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04 ,12.05,10]nonadeca-4,6,8,10-tetraene-13-carboxylate [ACD/IUPAC Name]
Methyl-(13S,15S,17S)-13-[(2β,3β,4β,5α,12β,19α)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04 ,12.05,10]nonadeca-4,6,8,10-tetraen-13-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: 1.708
Molar Refractivity: 203.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.88
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 2.32
ACD/KOC (pH 7.4): 20.50
Polar Surface Area: 161 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 521.9±7.0 cm3

Click to predict properties on the Chemicalize site


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