ChemSpider 2D Image | Tetramethyl (8alpha,9beta)-15,16-dimethoxy-15,16-dioxopodocarp-6-ene-3,3,13,13-tetracarboxylate | C27H36O12

Tetramethyl (8α,9β)-15,16-dimethoxy-15,16-dioxopodocarp-6-ene-3,3,13,13-tetracarboxylate

  • Molecular FormulaC27H36O12
  • Average mass552.568 Da
  • Monoisotopic mass552.220703 Da
  • ChemSpider ID9355492

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8α,9β)-15,16-Diméthoxy-15,16-dioxopodocarp-6-ène-3,3,13,13-tétracarboxylate de tétraméthyle [French] [ACD/IUPAC Name]
1,1,2,2,7,7(4bH)-Phenanthrenehexacarboxylic acid, 3,4,4a,5,6,8,8a,10a-octahydro-4a-methyl-, hexamethyl ester, (4aR,4bR,8aS,10aR)- [ACD/Index Name]
Tetramethyl (8α,9β)-15,16-dimethoxy-15,16-dioxopodocarp-6-ene-3,3,13,13-tetracarboxylate [ACD/IUPAC Name]
Tetramethyl-(8α,9β)-15,16-dimethoxy-15,16-dioxopodocarp-6-en-3,3,13,13-tetracarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 574.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 240.6±30.2 °C
Index of Refraction: 1.505
Molar Refractivity: 130.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 751.27
ACD/KOC (pH 5.5): 3981.94
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 751.27
ACD/KOC (pH 7.4): 3981.94
Polar Surface Area: 158 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 439.4±3.0 cm3

Click to predict properties on the Chemicalize site


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