Found 12 results

Search term: MF = 'C_{40}H_{66}O_{4}'
ChemSpider 2D Image | [(1S,4S,12S,13R,17R)-17-Hydroxy-12-methyl-8-oxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~5,9~]nonadeca-5(9),6-dien-17-yl]methyl icosanoate | C40H66O4

[(1S,4S,12S,13R,17R)-17-Hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl]methyl icosanoate

  • Molecular FormulaC40H66O4
  • Average mass610.950 Da
  • Monoisotopic mass610.496094 Da
  • ChemSpider ID110803966

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

[(1S,4S,12S,13R,17R)-17-Hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl]methyl icosanoate [ACD/IUPAC Name]
[(1S,4S,12S,13R,17R)-17-Hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl]methyl-icosanoat [German] [ACD/IUPAC Name]
Icosanoate de [(1S,4S,12S,13R,17R)-17-hydroxy-12-méthyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadéca-5(9),6-dién-17-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 670.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 359.0±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 181.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 14.45
ACD/LogD (pH 5.5): 13.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 60 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 584.1±5.0 cm3

Click to predict properties on the Chemicalize site


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