ChemSpider 2D Image | Dimethyl (3alpha,4alpha)-15-[17-ethyl-16-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0~4,12~.0~5,10~]nonadeca-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidos permidine-3,4-dicarboxylate | C46H58N4O9

Dimethyl (3α,4α)-15-[17-ethyl-16-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidos permidine-3,4-dicarboxylate

  • Molecular FormulaC46H58N4O9
  • Average mass810.974 Da
  • Monoisotopic mass810.420349 Da
  • ChemSpider ID4477410

  • defined stereocentres - 2 of 10 defined stereocentres

More details:

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

(3α,4α)-15-[17-Éthyl-16-hydroxy-13-(méthoxycarbonyl)-1,11-diazatétracyclo[13.3.1.04,12.05,10]nonadéca-4(12),5,7,9-tétraén-13-yl]-3-hydroxy-16-méthoxy-1-méthyl-6,7-didéhydroaspidospermidine -3,4-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3,4-dicarboxylic acid, 6,7-didehydro-15-[5-ethyl-1,4,5,6,7,8,9,10-octahydro-6-hydroxy-9-(methoxycarbonyl)-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methy ;l-, dimethyl ester, (3α,4α)- [ACD/Index Name]
Dimethyl (3α,4α)-15-[17-ethyl-16-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidos 
permidine-3,4-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(3α,4α)-15-[17-ethyl-16-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidos 
permidin-3,4-dicarboxylat [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: 1.670
Molar Refractivity: 220.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 3.89
ACD/KOC (pH 5.5): 16.23
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 445.12
ACD/KOC (pH 7.4): 1854.89
Polar Surface Area: 154 Å2
Polarizability: 87.5±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 590.9±5.0 cm3

Click to predict properties on the Chemicalize site


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