Found 1 result

Search term: CPJRQXVYDXRRRJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-acetoxy-15-[(13R,14S)-16-ethyl-13-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0~3,11~.0~4,9~]octadeca-3(11),4,6,9,15-pentaen-12-yl]-3-hydroxy-16-me thoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate | C45H54N4O8

Methyl (2β,3β,4β,5α,12β,19α)-4-acetoxy-15-[(13R,14S)-16-ethyl-13-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,9,15-pentaen-12-yl]-3-hydroxy-16-me thoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate

  • Molecular FormulaC45H54N4O8
  • Average mass778.932 Da
  • Monoisotopic mass778.394165 Da
  • ChemSpider ID111309484

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(2β,3β,4β,5α,12β,19α)-4-Acétoxy-15-[(13R,14S)-16-éthyl-13-(méthoxycarbonyl)-1,10-diazatétracyclo[12.3.1.03,11.04,9]octadéca-3(11),4,6,9,15-pentaén-12-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-[(6S,7R)-4-ethyl-1,3,6,7,8,10-hexahydro-7-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-, ;methyl ester, (2β,3β,4β,5α,12β,19α)- [ACD/Index Name]
Methyl (2β,3β,4β,5α,12β,19α)-4-acetoxy-15-[(13R,14S)-16-ethyl-13-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,9,15-pentaen-12-yl]-3-hydroxy-16-me
 thoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-(2β,3β,4β,5α,12β,19α)-4-acetoxy-15-[(13R,14S)-16-ethyl-13-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,9,15-pentaen-12-yl]-3-hydroxy-16-me
 thoxy-1-methyl-6,7-didehydroaspidospermidin-3-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: 1.678
Molar Refractivity: 211.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.40
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 47.66
ACD/KOC (pH 7.4): 228.76
Polar Surface Area: 130 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 560.3±7.0 cm3

Click to predict properties on the Chemicalize site


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