ChemSpider 2D Image | Mitragynine pseudoindoxyl | C23H30N2O5

Mitragynine pseudoindoxyl

  • Molecular FormulaC23H30N2O5
  • Average mass414.495 Da
  • Monoisotopic mass414.215485 Da
  • ChemSpider ID23152339

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E)-2-[(2S,6'S,7'S,8a'S)-6'-Éthyl-4-méthoxy-3-oxo-1,2',3,3',6',7',8',8a'-octahydro-5'H-spiro[indole-2,1'-indolizin]-7'-yl]-3-méthoxyacrylate de méthyle [French] [ACD/IUPAC Name]
Methyl (2E)-2-[(2S,6'S,7'S,8a'S)-6'-ethyl-4-methoxy-3-oxo-1,2',3,3',6',7',8',8a'-octahydro-5'H-spiro[indole-2,1'-indolizin]-7'-yl]-3-methoxyacrylate [ACD/IUPAC Name]
methyl (2E)-2-[(2S,6'S,7'S,8a'S)-6'-ethyl-4-methoxy-3-oxo-1,2',3,3',6',7',8',8a'-octahydro-5'H-spiro[indole-2,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
Methyl-(2E)-2-[(2S,6'S,7'S,8a'S)-6'-ethyl-4-methoxy-3-oxo-1,2',3,3',6',7',8',8a'-octahydro-5'H-spiro[indole-2,1'-indolizin]-7'-yl]-3-methoxyacrylat [German] [ACD/IUPAC Name]
Mitragynine pseudoindoxyl
Spiro[2H-indole-2,1'(5'H)-indolizine]-7'-acetic acid, 6'-ethyl-1,2',3,3',6',7',8',8'a-octahydro-4-methoxy-α-(methoxymethylene)-3-oxo-, methyl ester, (αE,2S,6'S,7'S,8'aS)- [ACD/Index Name]
methyl 2-[6'-ethyl-4-methoxy-3-oxo-(2'S,6'S,7'S,8a'S)-spiro[indole-2,1'-perhydroindolizine]-7-yl]-3-methoxy-(E)-2-propenoate(Mitragynine pseudoindoxyl)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 580.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.1±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 111.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 6.39
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 48.96
ACD/KOC (pH 7.4): 287.40
Polar Surface Area: 77 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 331.9±5.0 cm3

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