ChemSpider 2D Image | hirsuteine | C22H26N2O3

hirsuteine

  • Molecular FormulaC22H26N2O3
  • Average mass366.453 Da
  • Monoisotopic mass366.194336 Da
  • ChemSpider ID128946775

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3β,16Z)-17-Méthoxycoryna-16,18-dién-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
35467-43-7 [RN]
hirsuteine
Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-α-(methoxymethylene)-, methyl ester, (αZ,2S,3R,12bR)- [ACD/Index Name]
Methyl (3β,16Z)-17-methoxycoryna-16,18-dien-16-carboxylate [ACD/IUPAC Name]
Methyl-(3β,16Z)-17-methoxycoryna-16,18-dien-16-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 533.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.3±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 105.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 6.25
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 47.50
ACD/KOC (pH 7.4): 285.10
Polar Surface Area: 55 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 300.0±5.0 cm3

Click to predict properties on the Chemicalize site


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