ChemSpider 2D Image | Gracilioether G | C19H30O6

Gracilioether G

  • Molecular FormulaC19H30O6
  • Average mass354.438 Da
  • Monoisotopic mass354.204254 Da
  • ChemSpider ID28419942

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2Z)-[(2aS,4R,4aS,5S,6aR,6bS)-2a,5,6a-Triéthyl-5-hydroxy-4-[(1S)-1-hydroxyéthyl]hexahydro-1,3-dioxacyclopenta[cd]pentalén-2(2aH)-ylidène]acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(2aS,4R,4aS,5S,6aR,6bS)-2a,5,6a-triethylhexahydro-5-hydroxy-4-[(1S)-1-hydroxyethyl]-1,3-dioxacyclopenta[cd]pentalen-2(2aH)-ylidene]-, methyl ester, (2Z)- [ACD/Index Name]
Gracilioether G
Methyl (2Z)-[(2aS,4R,4aS,5S,6aR,6bS)-2a,5,6a-triethyl-5-hydroxy-4-[(1S)-1-hydroxyethyl]hexahydro-1,3-dioxacyclopenta[cd]pentalen-2(2aH)-ylidene]acetate [ACD/IUPAC Name]
Methyl-(2Z)-[(2aS,4R,4aS,5S,6aR,6bS)-2a,5,6a-triethyl-5-hydroxy-4-[(1S)-1-hydroxyethyl]hexahydro-1,3-dioxacyclopenta[cd]pentalen-2(2aH)-yliden]acetat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 474.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.1±6.0 kJ/mol
Flash Point: 162.3±22.2 °C
Index of Refraction: 1.560
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.92
ACD/KOC (pH 5.5): 405.77
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.92
ACD/KOC (pH 7.4): 405.77
Polar Surface Area: 85 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 289.5±3.0 cm3

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