ChemSpider 2D Image | (13alpha,14beta)-14-[(E)-2-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)vinyl]-8-methylpodocarpane-13-carboxylic acid | C25H36O5

(13α,14β)-14-[(E)-2-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)vinyl]-8-methylpodocarpane-13-carboxylic acid

  • Molecular FormulaC25H36O5
  • Average mass416.550 Da
  • Monoisotopic mass416.256287 Da
  • ChemSpider ID24716045

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(13α,14β)-14-[(E)-2-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)vinyl]-8-methylpodocarpan-13-carbonsäure [German] [ACD/IUPAC Name]
(13α,14β)-14-[(E)-2-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)vinyl]-8-methylpodocarpane-13-carboxylic acid [ACD/IUPAC Name]
2-Phenanthrenecarboxylic acid, 1-[(E)-2-(2,5-dihydro-2-hydroxy-5-oxo-3-furanyl)ethenyl]tetradecahydro-4b,8,8,10a-tetramethyl-, (1R,2S,4aS,4bS,8aS,10aS)- [ACD/Index Name]
Acide (13α,14β)-14-[(E)-2-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)vinyl]-8-méthylpodocarpane-13-carboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514134/
petrosaspongiolide R

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 200.7±23.6 °C
Index of Refraction: 1.611
Molar Refractivity: 117.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 155.98
ACD/KOC (pH 5.5): 695.37
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 10.88
Polar Surface Area: 84 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 338.7±3.0 cm3

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