ChemSpider 2D Image | Dimethyl (7S,8S)-1-butyl-2,7-dihydroxy-5-oxo-4,9,10-trioxatricyclo[4.3.1.0~3,8~]decane-7,8-dicarboxylate | C15H20O10

Dimethyl (7S,8S)-1-butyl-2,7-dihydroxy-5-oxo-4,9,10-trioxatricyclo[4.3.1.03,8]decane-7,8-dicarboxylate

  • Molecular FormulaC15H20O10
  • Average mass360.313 Da
  • Monoisotopic mass360.105652 Da
  • ChemSpider ID26593362

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(7S,8S)-1-Butyl-2,7-dihydroxy-5-oxo-4,9,10-trioxatricyclo[4.3.1.03,8]décane-7,8-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (7S,8S)-1-butyl-2,7-dihydroxy-5-oxo-4,9,10-trioxatricyclo[4.3.1.03,8]decane-7,8-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(7S,8S)-1-butyl-2,7-dihydroxy-5-oxo-4,9,10-trioxatricyclo[4.3.1.03,8]decan-7,8-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 521.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.5±6.0 kJ/mol
Flash Point: 190.4±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.95
ACD/KOC (pH 5.5): 604.49
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.62
ACD/KOC (pH 7.4): 600.76
Polar Surface Area: 138 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 236.8±3.0 cm3

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