ChemSpider 2D Image | 2-(Dimethylamino)ethyl (2E)-[(3beta,5xi,8xi,9xi,13E,14alpha)-3-hydroxy-14-methyl-7-oxopodocarpan-13-ylidene]acetate | C24H39NO4

2-(Dimethylamino)ethyl (2E)-[(3β,5ξ,8ξ,9ξ,13E,14α)-3-hydroxy-14-methyl-7-oxopodocarpan-13-ylidene]acetate

  • Molecular FormulaC24H39NO4
  • Average mass405.571 Da
  • Monoisotopic mass405.287903 Da
  • ChemSpider ID23203039

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(2E)-[(3β,5ξ,8ξ,9ξ,13E,14α)-3-Hydroxy-14-méthyl-7-oxopodocarpan-13-ylidène]acétate de 2-(diméthylamino)éthyle [French] [ACD/IUPAC Name]
2-(Dimethylamino)ethyl (2E)-[(3β,5ξ,8ξ,9ξ,13E,14α)-3-hydroxy-14-methyl-7-oxopodocarpan-13-ylidene]acetate [ACD/IUPAC Name]
2-(dimethylamino)ethyl (2E)-[(3β,5ξ,8ξ,9ξ,13E,14α)-3-hydroxy-14-methyl-7-oxopodocarpan-13-ylidene]ethanoate
2-(Dimethylamino)ethyl-(2E)-[(3β,5ξ,8ξ,9ξ,13E,14α)-3-hydroxy-14-methyl-7-oxopodocarpan-13-yliden]acetat [German] [ACD/IUPAC Name]
acetic acid, 2-[(1R,4bR,7S)-dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene]-, 2-(dimethylamino)ethyl ester, (2E)- [ACD/Index Name]
(7-Hydroxy-1,4b,8,8-tetramethyl-10-oxo-dodecahydro-phenanthren-2-ylidene)-acetic acid 2-dimethylamino-ethyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 517.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 267.0±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 115.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 8.72
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 74.14
ACD/KOC (pH 7.4): 428.85
Polar Surface Area: 67 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 371.0±3.0 cm3

Click to predict properties on the Chemicalize site


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