ChemSpider 2D Image | (–)-Trachyspic acid | C19H26O9

(–)-Trachyspic acid

  • Molecular FormulaC19H26O9
  • Average mass398.404 Da
  • Monoisotopic mass398.157684 Da
  • ChemSpider ID58539306

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(–)-Trachyspic acid
(-)-Trachyspic acid
(2R,3R,5R)-2-(Carboxymethyl)-8-octyl-9-oxo-1,6-dioxaspiro[4.4]non-7-en-2,3-dicarbonsäure [German] [ACD/IUPAC Name]
(2R,3R,5R)-2-(Carboxymethyl)-8-octyl-9-oxo-1,6-dioxaspiro[4.4]non-7-ene-2,3-dicarboxylic acid [ACD/IUPAC Name]
Acide (2R,3R,5R)-2-(carboxyméthyl)-8-octyl-9-oxo-1,6-dioxaspiro[4.4]non-7-ène-2,3-dicarboxylique [French] [ACD/IUPAC Name]
Trachyspic acid [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 676.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 239.3±25.0 °C
Index of Refraction: 1.562
Molar Refractivity: 94.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 4.08
ACD/KOC (pH 5.5): 31.72
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 290.2±5.0 cm3

Click to predict properties on the Chemicalize site


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