ChemSpider 2D Image | Methyl (3beta,7alpha,15beta,19beta,20alpha)-19-methyl-2-oxoformosanan-16-carboxylate | C21H24N2O4

Methyl (3β,7α,15β,19β,20α)-19-methyl-2-oxoformosanan-16-carboxylate

  • Molecular FormulaC21H24N2O4
  • Average mass368.426 Da
  • Monoisotopic mass368.173615 Da
  • ChemSpider ID29420603

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3β,7α,15β,19β,20α)-19-Méthyl-2-oxoformosanan-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (3β,7α,15β,19β,20α)-19-methyl-2-oxoformosanan-16-carboxylate [ACD/IUPAC Name]
Methyl-(3β,7α,15β,19β,20α)-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-1'-methyl-2-oxo-, methyl ester, (1'R,3S,4a'R,5a'R,10a'S)- [ACD/Index 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: 555.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.6±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 98.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 6.74
ACD/KOC (pH 7.4): 89.24
Polar Surface Area: 68 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 275.9±5.0 cm3

Click to predict properties on the Chemicalize site


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