ChemSpider 2D Image | Methyl 3-[(10R,10aS,10bS)-10-hydroxy-2,3,5,9,10,10a-hexahydro-1H,10bH-pyrido[3,2,1-ij]quinolin-10b-yl]-2-methylpropanoate | C17H25NO3

Methyl 3-[(10R,10aS,10bS)-10-hydroxy-2,3,5,9,10,10a-hexahydro-1H,10bH-pyrido[3,2,1-ij]quinolin-10b-yl]-2-methylpropanoate

  • Molecular FormulaC17H25NO3
  • Average mass291.385 Da
  • Monoisotopic mass291.183441 Da
  • ChemSpider ID35518551
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

1H,10bH-Benzo[ij]quinolizine-10b-propanoic acid, 2,3,5,9,10,10a-hexahydro-10-hydroxy-α-methyl-, methyl ester, (10R,10aS,10bS)- [ACD/Index Name]
3-[(10R,10aS,10bS)-10-Hydroxy-2,3,5,9,10,10a-hexahydro-1H,10bH-pyrido[3,2,1-ij]quinoléin-10b-yl]-2-méthylpropanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[(10R,10aS,10bS)-10-hydroxy-2,3,5,9,10,10a-hexahydro-1H,10bH-pyrido[3,2,1-ij]quinolin-10b-yl]-2-methylpropanoate [ACD/IUPAC Name]
Methyl-3-[(10R,10aS,10bS)-10-hydroxy-2,3,5,9,10,10a-hexahydro-1H,10bH-pyrido[3,2,1-ij]chinolin-10b-yl]-2-methylpropanoat [German] [ACD/IUPAC Name]
Lyconnotine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 439.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±6.0 kJ/mol
Flash Point: 219.8±27.3 °C
Index of Refraction: 1.570
Molar Refractivity: 81.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.80
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 9.78
ACD/KOC (pH 7.4): 145.59
Polar Surface Area: 50 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 248.1±5.0 cm3

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