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

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

  • Molecular FormulaC27H34O10
  • Average mass518.553 Da
  • Monoisotopic mass518.215210 Da
  • ChemSpider ID30812531

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-Furyl)-7-(methoxycarbonyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-9-yl methyl glutarate [ACD/IUPAC Name]
(2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-Furyl)-7-(methoxycarbonyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-9-yl-methylglutarat [German] [ACD/IUPAC Name]
Glutarate 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 et de méthyle [French] [ACD/IUPAC Name]
Pentanedioic acid, (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 methyl ester [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: 625.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.8±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: 2.26
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.52
ACD/KOC (pH 5.5): 861.59
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.52
ACD/KOC (pH 7.4): 861.59
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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