ChemSpider 2D Image | (3aE,5S,6R,7E,11aR)-5,6-Diethyl-11a-methyl-1,3,8-trioxo-3,5,6,8,11,11a-hexahydro-1H-furo[3',4':4,5]cyclonona[1,2-c]furan-10-olate | C18H19O6

(3aE,5S,6R,7E,11aR)-5,6-Diethyl-11a-methyl-1,3,8-trioxo-3,5,6,8,11,11a-hexahydro-1H-furo[3',4':4,5]cyclonona[1,2-c]furan-10-olate

  • Molecular FormulaC18H19O6
  • Average mass331.340 Da
  • Monoisotopic mass331.118713 Da
  • ChemSpider ID77410255

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aE,5S,6R,7E,11aR)-5,6-Diethyl-11a-methyl-1,3,8-trioxo-3,5,6,8,11,11a-hexahydro-1H-furo[3',4':4,5]cyclonona[1,2-c]furan-10-olat [German] [ACD/IUPAC Name]
(3aE,5S,6R,7E,11aR)-5,6-Diethyl-11a-methyl-1,3,8-trioxo-3,5,6,8,11,11a-hexahydro-1H-furo[3',4':4,5]cyclonona[1,2-c]furan-10-olate [ACD/IUPAC Name]
(3aE,5S,6R,7E,11aR)-5,6-Diéthyl-11a-méthyl-1,3,8-trioxo-3,5,6,8,11,11a-hexahydro-1H-furo[3',4':4,5]cyclonona[1,2-c]furan-10-olate [French] [ACD/IUPAC Name]
1H-Cyclonona[1,2-c:4,5-c']difuran-1,3,8-trione, 5,6-diethyl-5,6,11,11a-tetrahydro-10-hydroxy-11a-methyl-, ion(1-), (3aE,5S,6R,7E,11aR)- [ACD/Index Name]

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

Density:
Boiling Point: 615.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.7±6.0 kJ/mol
Flash Point: 226.6±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.26
ACD/KOC (pH 5.5): 299.74
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.49
ACD/KOC (pH 7.4): 273.50
Polar Surface Area: 93 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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