ChemSpider 2D Image | (2R,3S)-2-[(2S,4R,6E)-4,6-Dimethyl-6-octen-2-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E,4E,6S)-8-hydroxy-6-(hydroxymethyl)-4-methyl-2,4-octadienoate | C25H38O6

(2R,3S)-2-[(2S,4R,6E)-4,6-Dimethyl-6-octen-2-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E,4E,6S)-8-hydroxy-6-(hydroxymethyl)-4-methyl-2,4-octadienoate

  • Molecular FormulaC25H38O6
  • Average mass434.566 Da
  • Monoisotopic mass434.266846 Da
  • ChemSpider ID62654678

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E,4E,6S)-8-Hydroxy-6-(hydroxyméthyl)-4-méthyl-2,4-octadiénoate de (2R,3S)-2-[(2S,4R,6E)-4,6-diméthyl-6-octén-2-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]
(2R,3S)-2-[(2S,4R,6E)-4,6-Dimethyl-6-octen-2-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E,4E,6S)-8-hydroxy-6-(hydroxymethyl)-4-methyl-2,4-octadienoate [ACD/IUPAC Name]
(2R,3S)-2-[(2S,4R,6E)-4,6-Dimethyl-6-octen-2-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl-(2E,4E,6S)-8-hydroxy-6-(hydroxymethyl)-4-methyl-2,4-octadienoat [German] [ACD/IUPAC Name]
2,4-Octadienoic acid, 8-hydroxy-6-(hydroxymethyl)-4-methyl-, (2R,3S)-3,6-dihydro-6-oxo-2-[(1S,3R,5E)-1,3,5-trimethyl-5-hepten-1-yl]-2H-pyran-3-yl ester, (2E,4E,6S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 606.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.4±6.0 kJ/mol
Flash Point: 197.4±25.0 °C
Index of Refraction: 1.526
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 300.66
ACD/KOC (pH 5.5): 2067.32
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 300.66
ACD/KOC (pH 7.4): 2067.32
Polar Surface Area: 93 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 396.3±5.0 cm3

Click to predict properties on the Chemicalize site


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