ChemSpider 2D Image | [(3aR,4R,5aS,6aR,10aR,10bS,10cR)-2,2,6a-Trimethyl-9-oxo-3a,5a,6a,9,10,10a,10b,10c-octahydro-4H-[1,3]dioxolo[4,5]pyrano[2,3-b][1]benzofuran-4-yl]methyl acetate | C18H24O7

[(3aR,4R,5aS,6aR,10aR,10bS,10cR)-2,2,6a-Trimethyl-9-oxo-3a,5a,6a,9,10,10a,10b,10c-octahydro-4H-[1,3]dioxolo[4,5]pyrano[2,3-b][1]benzofuran-4-yl]methyl acetate

  • Molecular FormulaC18H24O7
  • Average mass352.379 Da
  • Monoisotopic mass352.152191 Da
  • ChemSpider ID26572518

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(3aR,4R,5aS,6aR,10aR,10bS,10cR)-2,2,6a-Trimethyl-9-oxo-3a,5a,6a,9,10,10a,10b,10c-octahydro-4H-[1,3]dioxolo[4,5]pyrano[2,3-b][1]benzofuran-4-yl]methyl acetate [ACD/IUPAC Name]
[(3aR,4R,5aS,6aR,10aR,10bS,10cR)-2,2,6a-Trimethyl-9-oxo-3a,5a,6a,9,10,10a,10b,10c-octahydro-4H-[1,3]dioxolo[4,5]pyrano[2,3-b][1]benzofuran-4-yl]methyl-acetat [German] [ACD/IUPAC Name]
4H-1,3-Dioxolo[4,5]pyrano[2,3-b]benzofuran-9(6aH)-one, 4-[(acetyloxy)methyl]-3a,5a,10,10a,10b,10c-hexahydro-2,2,6a-trimethyl-, (3aR,4R,5aS,6aR,10aR,10bS,10cR)- [ACD/Index Name]
Acétate de [(3aR,4R,5aS,6aR,10aR,10bS,10cR)-2,2,6a-triméthyl-9-oxo-3a,5a,6a,9,10,10a,10b,10c-octahydro-4H-[1,3]dioxolo[4,5]pyrano[2,3-b][1]benzofuran-4-yl]méthyle [French] [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: 463.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 203.6±28.8 °C
Index of Refraction: 1.497
Molar Refractivity: 85.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.00
ACD/KOC (pH 5.5): 253.22
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.00
ACD/KOC (pH 7.4): 253.22
Polar Surface Area: 80 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 291.6±3.0 cm3

Click to predict properties on the Chemicalize site


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