ChemSpider 2D Image | Methyl (3beta,7beta,16E)-9-hydroxy-16-(methoxymethylene)-2-oxocorynoxan-17-oate | C22H28N2O5

Methyl (3β,7β,16E)-9-hydroxy-16-(methoxymethylene)-2-oxocorynoxan-17-oate

  • Molecular FormulaC22H28N2O5
  • Average mass400.468 Da
  • Monoisotopic mass400.199829 Da
  • ChemSpider ID103884424

  • 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

(3β,7β,16E)-9-Hydroxy-16-(méthoxyméthylène)-2-oxocorynoxan-17-oate de méthyle [French] [ACD/IUPAC Name]
5171-42-6 [RN]
Methyl (3β,7β,16E)-9-hydroxy-16-(methoxymethylene)-2-oxocorynoxan-17-oate [ACD/IUPAC Name]
Methyl-(3β,7β,16E)-9-hydroxy-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-4-hydroxy-α-(methoxymethylene)-2-oxo-, methyl ester, (αE,3R,6'S,7'S,8'aR)- [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: 590.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 311.1±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 4.16
ACD/KOC (pH 7.4): 48.79
Polar Surface Area: 88 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 307.1±5.0 cm3

Click to predict properties on the Chemicalize site


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