ChemSpider 2D Image | Methyl (3beta,4beta)-4-acetoxy-15-[(13R,15S,16S,18R)-18-ethyl-13-(methoxycarbonyl)-1-oxido-17-oxa-1,11-diazapentacyclo[13.4.1.0~4,12~.0~5,10~.0~16,18~]icosa-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-met
hoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate | C46H56N4O10

Methyl (3β,4β)-4-acetoxy-15-[(13R,15S,16S,18R)-18-ethyl-13-(methoxycarbonyl)-1-oxido-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-met hoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate

  • Molecular FormulaC46H56N4O10
  • Average mass824.958 Da
  • Monoisotopic mass824.399658 Da
  • ChemSpider ID5145179
  • defined stereocentres - 10 of 11 defined stereocentres


More details:






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

(3β,4β)-4-Acétoxy-15-[(13R,15S,16S,18R)-18-éthyl-13-(méthoxycarbonyl)-1-oxydo-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tétraén-13-yl]-3-hydroxy-16-méthoxy-1- méthyl-6,7-didéhydroaspidospermidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[(1aR,11R,13S,13aS)-1a-ethyl-1a,2,3,4,5,10,11,12,13,13a-decahydro-11-(methoxycarbonyl)-3-oxido-3,13-methanooxireno[9,10]azacycloundec ;ino[5,4-b]indol-11-yl]-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (3β,4β)- [ACD/Index Name]
Methyl (3β,4β)-4-acetoxy-15-[(13R,15S,16S,18R)-18-ethyl-13-(methoxycarbonyl)-1-oxido-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-met 
hoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-(3β,4β)-4-acetoxy-15-[(13R,15S,16S,18R)-18-ethyl-13-(methoxycarbonyl)-1-oxido-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-met 
hoxy-1-methyl-6,7-didehydroaspidospermidin-3-carboxylat [German] [ACD/IUPAC Name]

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

NCIMech_000544 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 34.42
ACD/KOC (pH 5.5): 341.86
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.27
ACD/KOC (pH 7.4): 807.06
Polar Surface Area: 160 Å2
Polarizability:
Surface Tension:
Molar Volume:

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