ChemSpider 2D Image | plakortinic acid B | C24H40O6

plakortinic acid B

  • Molecular FormulaC24H40O6
  • Average mass424.571 Da
  • Monoisotopic mass424.282501 Da
  • ChemSpider ID61360239

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(3S,5R)-5-{6-[(1S,4R,5S,6R,7R,8R)-8-Ethyl-4,5-dihydroxy-2-methylbicyclo[4.2.0]oct-2-en-7-yl]hexyl}-3,5-dimethyl-1,2-dioxolan-3-yl]acetic acid [ACD/IUPAC Name]
[(3S,5R)-5-{6-[(1S,4R,5S,6R,7R,8R)-8-Ethyl-4,5-dihydroxy-2-methylbicyclo[4.2.0]oct-2-en-7-yl]hexyl}-3,5-dimethyl-1,2-dioxolan-3-yl]essigsäure [German] [ACD/IUPAC Name]
1,2-Dioxolane-3-acetic acid, 5-[6-[(1S,4R,5S,6R,7R,8R)-8-ethyl-4,5-dihydroxy-2-methylbicyclo[4.2.0]oct-2-en-7-yl]hexyl]-3,5-dimethyl-, (3S,5R)- [ACD/Index Name]
Acide [(3S,5R)-5-{6-[(1S,4R,5S,6R,7R,8R)-8-éthyl-4,5-dihydroxy-2-méthylbicyclo[4.2.0]oct-2-én-7-yl]hexyl}-3,5-diméthyl-1,2-dioxolan-3-yl]acétique [French] [ACD/IUPAC Name]
plakortinic acid B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 538.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.8±6.0 kJ/mol
Flash Point: 174.1±20.8 °C
Index of Refraction: 1.508
Molar Refractivity: 114.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 217.03
ACD/KOC (pH 5.5): 768.57
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 3.48
ACD/KOC (pH 7.4): 12.32
Polar Surface Area: 96 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 385.2±3.0 cm3

Click to predict properties on the Chemicalize site


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