ChemSpider 2D Image | (2S,5R,8R,10R,11S,14S,17S,18R,20S)-2,20-Dihydroxy-5-methyl-13-methylene-7,9-dioxahexacyclo[8.7.2.1~11,14~.0~1,8~.0~5,18~.0~11,17~]icosan-12-one | C20H26O5

(2S,5R,8R,10R,11S,14S,17S,18R,20S)-2,20-Dihydroxy-5-methyl-13-methylene-7,9-dioxahexacyclo[8.7.2.111,14.01,8.05,18.011,17]icosan-12-one

  • Molecular FormulaC20H26O5
  • Average mass346.417 Da
  • Monoisotopic mass346.178009 Da
  • ChemSpider ID129154153

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(2S,5R,8R,10R,11S,14S,17S,18R,20S)-2,20-Dihydroxy-5-methyl-13-methylen-7,9-dioxahexacyclo[8.7.2.111,14.01,8.05,18.011,17]icosan-12-on [German] [ACD/IUPAC Name]
(2S,5R,8R,10R,11S,14S,17S,18R,20S)-2,20-Dihydroxy-5-methyl-13-methylene-7,9-dioxahexacyclo[8.7.2.111,14.01,8.05,18.011,17]icosan-12-one [ACD/IUPAC Name]
(2S,5R,8R,10R,11S,14S,17S,18R,20S)-2,20-Dihydroxy-5-méthyl-13-méthylène-7,9-dioxahexacyclo[8.7.2.111,14.01,8.05,18.011,17]icosan-12-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 207.3±23.6 °C
Index of Refraction: 1.628
Molar Refractivity: 88.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.08
ACD/KOC (pH 5.5): 77.86
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.08
ACD/KOC (pH 7.4): 77.86
Polar Surface Area: 76 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 249.3±5.0 cm3

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