ChemSpider 2D Image | Ethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-7-(methoxycarbonyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-9-yl succinate | C27H34O10

Ethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-7-(methoxycarbonyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-9-yl succinate

  • Molecular FormulaC27H34O10
  • Average mass518.553 Da
  • Monoisotopic mass518.215210 Da
  • ChemSpider ID30812530

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

Butanedioic acid, ethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furanyl)dodecahydro-7-(methoxycarbonyl)-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-9-yl ester [ACD/Index Name]
Ethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-7-(methoxycarbonyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-9-yl succinate [ACD/IUPAC Name]
Ethyl-(2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-7-(methoxycarbonyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-9-yl-succinat [German] [ACD/IUPAC Name]
Succinate d'éthyle et de (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-7-(méthoxycarbonyl)-6a,10b-diméthyl-4,10-dioxododécahydro-2H-benzo[f]isochromén-9-yle [French] [ACD/IUPAC 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: 634.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.5±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 127.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.58
ACD/KOC (pH 5.5): 896.59
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.58
ACD/KOC (pH 7.4): 896.59
Polar Surface Area: 135 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 403.1±5.0 cm3

Click to predict properties on the Chemicalize site


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