ChemSpider 2D Image | Pseudolaric acid | C22H28O6

Pseudolaric acid

  • Molecular FormulaC22H28O6
  • Average mass388.454 Da
  • Monoisotopic mass388.188599 Da
  • ChemSpider ID25991465

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E,4E)-5-[(1R,7S,8S,9S)-7-Acetoxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoic acid [ACD/IUPAC Name]
(2E,4E)-5-[(1R,7S,8S,9S)-7-Acetoxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methyl-2,4-pentadiensäure [German] [ACD/IUPAC Name]
2,4-Pentadienoic acid, 5-[(3S,4S,4aS,9aR)-4a-(acetyloxy)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta[c]pyran-3-yl]-2-methyl-, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-5-[(1R,7S,8S,9S)-7-acétoxy-4,9-diméthyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridéc-3-én-9-yl]-2-méthyl-2,4-pentadiénoïque [French] [ACD/IUPAC Name]
Pseudolaric acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 571.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 196.6±23.6 °C
Index of Refraction: 1.563
Molar Refractivity: 102.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 16.34
ACD/KOC (pH 5.5): 131.65
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.07
Polar Surface Area: 90 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 315.3±5.0 cm3

Click to predict properties on the Chemicalize site


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