ChemSpider 2D Image | Methyl (7beta,16Z,20alpha)-16-(methoxymethylene)-2-oxocorynoxan-17-oate | C22H28N2O4

Methyl (7β,16Z,20α)-16-(methoxymethylene)-2-oxocorynoxan-17-oate

  • Molecular FormulaC22H28N2O4
  • Average mass384.469 Da
  • Monoisotopic mass384.204895 Da
  • ChemSpider ID34018765
  • 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

(7β,16Z,20α)-16-(Méthoxyméthylène)-2-oxocorynoxan-17-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (7β,16Z,20α)-16-(methoxymethylene)-2-oxocorynoxan-17-oate [ACD/IUPAC Name]
Methyl-(7β,16Z,20α)-16-(methoxymethylen)-2-oxocorynoxan-17-oat [German] [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(5'H)-indolizine]-7'-acetic acid, 6'-ethyl-1,2,2',3',6',7',8',8'a-octahydro-α-(methoxymethylene)-2-oxo-, methyl ester, (αZ,3R,6'R,7'S,8'aS)- [ACD/Index Name]
Methyl (Z)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 560.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 293.0±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 6.30
ACD/KOC (pH 7.4): 62.16
Polar Surface Area: 68 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 310.2±5.0 cm3

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