ChemSpider 2D Image | 3927 | C43H55N5O7

3927

  • Molecular FormulaC43H55N5O7
  • Average mass753.926 Da
  • Monoisotopic mass753.410156 Da
  • ChemSpider ID9818189
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(13S,15R,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(12),5,7,9-tétraène-13-carboxylate de méthyle [French] [ACD/IUPAC Name]
258-682-2 [EINECS]
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-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-, methyl ester, (5S,7R,9S)- [ACD/Index 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-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-, methyl ester, (5S,7R,9S)-
3927
Methyl (13S,15R,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(12),5,7,9-tetraene-13-carboxylate [ACD/IUPAC Name]
methyl (5S,7R,9S)-9-[(2β,3β,4β,5α,12β,19α)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate
Methyl-(13S,15R,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(12),5,7,9-tetraen-13-carboxylat [German] [ACD/IUPAC Name]
RSA8KO39WH
methyl (13S,15R,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.709
Molar Refractivity: 208.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.05
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 26.63
ACD/KOC (pH 7.4): 239.84
Polar Surface Area: 165 Å2
Polarizability: 82.6±0.5 10-24cm3
Surface Tension: 79.1±5.0 dyne/cm
Molar Volume: 534.2±5.0 cm3

Click to predict properties on the Chemicalize site






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