Found 3 results

Search term: RQFUBKUYZCTGNX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl [(1R,2R,6S)-1-ethyl-6-(hydroxymethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]acetate | C21H26N2O4

Methyl [(1R,2R,6S)-1-ethyl-6-(hydroxymethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]acetate

  • Molecular FormulaC21H26N2O4
  • Average mass370.442 Da
  • Monoisotopic mass370.189270 Da
  • ChemSpider ID30651150

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

[(1R,2R,6S)-1-Éthyl-6-(hydroxyméthyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]acétate de méthyle [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizine-2-acetic acid, 1-ethyl-1,2,3,4,6,7,12,12b-octahydro-6-(hydroxymethyl)-4-oxo-, methyl ester, (1R,2R,6S)- [ACD/Index Name]
Methyl [(1R,2R,6S)-1-ethyl-6-(hydroxymethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]acetate [ACD/IUPAC Name]
Methyl-[(1R,2R,6S)-1-ethyl-6-(hydroxymethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-2-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 590.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 311.0±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.18
ACD/KOC (pH 5.5): 557.43
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.18
ACD/KOC (pH 7.4): 557.43
Polar Surface Area: 83 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 284.2±5.0 cm3

Click to predict properties on the Chemicalize site


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