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Search term: ZWUDUCJVIQMXIN-YOQJOLSQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl (5alpha,6alpha,7alpha,12beta,19alpha)-15-acetoxy-16-methoxy-2,3-didehydro-6,7-epoxyaspidospermidine-3-carboxylate | C24H28N2O6

Methyl (5α,6α,7α,12β,19α)-15-acetoxy-16-methoxy-2,3-didehydro-6,7-epoxyaspidospermidine-3-carboxylate

  • Molecular FormulaC24H28N2O6
  • Average mass440.489 Da
  • Monoisotopic mass440.194733 Da
  • ChemSpider ID24720566

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5α,6α,7α,12β,19α)-15-Acétoxy-16-méthoxy-2,3-didéhydro-6,7-epoxyaspidospermidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 15-(acetyloxy)-2,3-didehydro-6,7-epoxy-16-methoxy-, methyl ester, (5α,6α,7α,12β,19α)- [ACD/Index Name]
Methyl (5α,6α,7α,12β,19α)-15-acetoxy-16-methoxy-2,3-didehydro-6,7-epoxyaspidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-(5α,6α,7α,12β,19α)-15-acetoxy-16-methoxy-2,3-didehydro-6,7-epoxyaspidospermidin-3-carboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL524485/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 559.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.4±30.1 °C
Index of Refraction: 1.640
Molar Refractivity: 114.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.92
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 9.10
ACD/KOC (pH 7.4): 91.80
Polar Surface Area: 90 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 316.3±5.0 cm3

Click to predict properties on the Chemicalize site


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