ChemSpider 2D Image | (3S,4S,5S,6S,7S,9R,11S,12S,13S,14S)-14-Ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione | C21H38O6

(3S,4S,5S,6S,7S,9R,11S,12S,13S,14S)-14-Ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione

  • Molecular FormulaC21H38O6
  • Average mass386.523 Da
  • Monoisotopic mass386.266846 Da
  • ChemSpider ID62399309

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3S,4S,5S,6S,7S,9R,11S,12S,13S,14S)-14-Ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2,10-dion [German] [ACD/IUPAC Name]
(3S,4S,5S,6S,7S,9R,11S,12S,13S,14S)-14-Ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione [ACD/IUPAC Name]
(3S,4S,5S,6S,7S,9R,11S,12S,13S,14S)-14-Éthyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexaméthyloxacyclotétradécane-2,10-dione [French] [ACD/IUPAC Name]
Oxacyclotetradecane-2,10-dione, 14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-, (3S,4S,5S,6S,7S,9R,11S,12S,13S,14S)- [ACD/Index 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: 561.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 187.5±23.6 °C
Index of Refraction: 1.459
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 33.14
ACD/KOC (pH 5.5): 426.46
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.14
ACD/KOC (pH 7.4): 426.46
Polar Surface Area: 104 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 380.9±3.0 cm3

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