ChemSpider 2D Image | Orthosiphol S | C34H36O9

Orthosiphol S

  • Molecular FormulaC34H36O9
  • Average mass588.644 Da
  • Monoisotopic mass588.235962 Da
  • ChemSpider ID8275440

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1α,3α,7α,13α)-7,8-Dihydroxy-2,11,14-trioxopimar-15-en-1,3-diyl-dibenzoat [German] [ACD/IUPAC Name]
(1α,3α,7α,13α)-7,8-Dihydroxy-2,11,14-trioxopimar-15-ene-1,3-diyl dibenzoate [ACD/IUPAC Name]
1,4,6(4aH)-Phenanthrenetrione, 5,7-bis(benzoyloxy)-2-ethenyldecahydro-10,10a-dihydroxy-2,4b,8,8-tetramethyl-, (2R,4aR,4bS,5R,7S,8aS,10R,10aR)- [ACD/Index Name]
Dibenzoate de (1α,3α,7α,13α)-7,8-dihydroxy-2,11,14-trioxopimar-15-ène-1,3-diyle [French] [ACD/IUPAC Name]
Orthosiphol S

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 224.1±26.4 °C
Index of Refraction: 1.615
Molar Refractivity: 154.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2180.91
ACD/KOC (pH 5.5): 8538.73
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2180.56
ACD/KOC (pH 7.4): 8537.35
Polar Surface Area: 144 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 441.2±5.0 cm3

Click to predict properties on the Chemicalize site


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