ChemSpider 2D Image | Methyl (3xi,19alpha)-11-methoxy-19-methyl-2-oxoformosanan-16-carboxylate | C22H26N2O5

Methyl (3ξ,19α)-11-methoxy-19-methyl-2-oxoformosanan-16-carboxylate

  • Molecular FormulaC22H26N2O5
  • Average mass398.452 Da
  • Monoisotopic mass398.184174 Da
  • ChemSpider ID20052154

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3ξ,19α)-11-Méthoxy-19-méthyl-2-oxoformosanan-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
263-521-4 [EINECS]
62358-35-4 [RN]
Formosanan-16-carboxylic acid, 11-methoxy-19-methyl-2-oxo-, methyl ester, (19α)-
Methyl (3ξ,19α)-11-methoxy-19-methyl-2-oxoformosanan-16-carboxylate [ACD/IUPAC Name]
Methyl-(3ξ,19α)-11-methoxy-19-methyl-2-oxoformosanan-16-carboxylat [German] [ACD/IUPAC Name]
Spiro[3H-indole-3,6'(10'H)-[1H]pyrano[3,4-f]indolizine]-4'-carboxylic acid, 1,2,4'a,5',5'a,7',8',10'a-octahydro-6-methoxy-1'-methyl-2-oxo-, methyl ester, (1'S,3R,4a'S,10a'R)- [ACD/Index Name]
methyl 11-methoxy-19α-methyl-2-oxoformosanan-16-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 578.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.6±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 8.43
ACD/KOC (pH 7.4): 103.57
Polar Surface Area: 77 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 297.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement