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Search term: LWFHXTDIICCALN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{[(13alpha,14beta,15S)-15-Ethoxy-13-hydroxy-8,13-dimethyl-15,17-epoxypodocarpan-14-yl]methyl}-1,4-benzenediol | C28H42O5

2-{[(13α,14β,15S)-15-Ethoxy-13-hydroxy-8,13-dimethyl-15,17-epoxypodocarpan-14-yl]methyl}-1,4-benzenediol

  • Molecular FormulaC28H42O5
  • Average mass458.630 Da
  • Monoisotopic mass458.303223 Da
  • ChemSpider ID40256493

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1,4-Benzenediol, 2-[[(3S,4R,4aR,6aR,7S,8S,10aS,10bS)-3-ethoxydecahydro-8-hydroxy-4,6a,8-trimethyl-3H-4,10b-propano-1H-naphtho[1,2-c]pyran-7-yl]methyl]- [ACD/Index Name]
2-{[(13α,14β,15S)-15-Ethoxy-13-hydroxy-8,13-dimethyl-15,17-epoxypodocarpan-14-yl]methyl}-1,4-benzenediol [ACD/IUPAC Name]
2-{[(13α,14β,15S)-15-Éthoxy-13-hydroxy-8,13-diméthyl-15,17-époxypodocarpan-14-yl]méthyl}-1,4-benzènediol [French] [ACD/IUPAC Name]
2-{[(13α,14β,15S)-15-Ethoxy-13-hydroxy-8,13-dimethyl-15,17-epoxypodocarpan-14-yl]methyl}-1,4-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 606.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.3±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 128.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2673.17
ACD/KOC (pH 5.5): 9877.78
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2671.15
ACD/KOC (pH 7.4): 9870.31
Polar Surface Area: 79 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 380.8±5.0 cm3

Click to predict properties on the Chemicalize site


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