ChemSpider 2D Image | Methyl 4-acetoxy-15-[18-ethyl-7-hydroxy-13-(methoxycarbonyl)-11-methyl-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-methoxy-6,7-didehydroas
pidospermidine-3-carboxylate | C46H56N4O10

Methyl 4-acetoxy-15-[18-ethyl-7-hydroxy-13-(methoxycarbonyl)-11-methyl-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-methoxy-6,7-didehydroas pidospermidine-3-carboxylate

  • Molecular FormulaC46H56N4O10
  • Average mass824.958 Da
  • Monoisotopic mass824.399658 Da
  • ChemSpider ID138602

More details:






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

4-Acétoxy-15-[18-éthyl-7-hydroxy-13-(méthoxycarbonyl)-11-méthyl-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-6,7-didéhydroaspidospe rmidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[1a-ethyl-1a,4,5,10,11,12,13,13a-octahydro-7-hydroxy-11-(methoxycarbonyl)-10-methyl-2H-3,13-methanooxireno[9,10]azacycloundecino[5,4- b]indol-11-yl]-3-hydroxy-16-methoxy-, methyl ester [ACD/Index Name]
Methyl 4-acetoxy-15-[18-ethyl-7-hydroxy-13-(methoxycarbonyl)-11-methyl-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-methoxy-6,7-didehydroas 
pidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-4-acetoxy-15-[18-ethyl-7-hydroxy-13-(methoxycarbonyl)-11-methyl-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-methoxy-6,7-didehydroas 
pidospermidin-3-carboxylat [German] [ACD/IUPAC Name]
79257-03-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 216.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 8.91
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 301.90
ACD/KOC (pH 7.4): 1442.49
Polar Surface Area: 165 Å2
Polarizability: 85.8±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 562.1±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement