ChemSpider 2D Image | (1R,3R,7S,8S,9S,11S)-11-(2,3-Dioxobutyl)-1-methyl-6-methylene-5-oxo-4,10,12-trioxatricyclo[7.2.1.0~3,7~]dodec-8-yl 3-methylbutanoate | C20H26O8

(1R,3R,7S,8S,9S,11S)-11-(2,3-Dioxobutyl)-1-methyl-6-methylene-5-oxo-4,10,12-trioxatricyclo[7.2.1.03,7]dodec-8-yl 3-methylbutanoate

  • Molecular FormulaC20H26O8
  • Average mass394.416 Da
  • Monoisotopic mass394.162781 Da
  • ChemSpider ID31140458

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3R,7S,8S,9S,11S)-11-(2,3-Dioxobutyl)-1-methyl-6-methylen-5-oxo-4,10,12-trioxatricyclo[7.2.1.03,7]dodec-8-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
(1R,3R,7S,8S,9S,11S)-11-(2,3-Dioxobutyl)-1-methyl-6-methylene-5-oxo-4,10,12-trioxatricyclo[7.2.1.03,7]dodec-8-yl 3-methylbutanoate [ACD/IUPAC Name]
3-Méthylbutanoate de (1R,3R,7S,8S,9S,11S)-11-(2,3-dioxobutyl)-1-méthyl-6-méthylène-5-oxo-4,10,12-trioxatricyclo[7.2.1.03,7]dodéc-8-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, (3aS,4S,5S,7S,8R,9aR)-7-(2,3-dioxobutyl)octahydro-8-methyl-3-methylene-2-oxo-5,8-epoxy-2H-furo[3,2-d]oxocin-4-yl 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: 520.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 226.6±30.2 °C
Index of Refraction: 1.523
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.84
ACD/KOC (pH 5.5): 204.16
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.84
ACD/KOC (pH 7.4): 204.16
Polar Surface Area: 105 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 312.3±5.0 cm3

Click to predict properties on the Chemicalize site


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