ChemSpider 2D Image | Methyl (2R)-2-{(1S,2S,6R)-2-[(1E)-3-hydroxy-2-{(2R,3R,6S)-6-[(1E,3S)-3-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyltetrahydro-2-furanyl}-1-buten-1-yl]-3-methyltetrahydro-2H-pyran-2-yl}-1-propen-1-yl]- 6-methylcyclohexyl}propanoate | C32H54O6

Methyl (2R)-2-{(1S,2S,6R)-2-[(1E)-3-hydroxy-2-{(2R,3R,6S)-6-[(1E,3S)-3-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyltetrahydro-2-furanyl}-1-buten-1-yl]-3-methyltetrahydro-2H-pyran-2-yl}-1-propen-1-yl]- 6-methylcyclohexyl}propanoate

  • Molecular FormulaC32H54O6
  • Average mass534.768 Da
  • Monoisotopic mass534.392029 Da
  • ChemSpider ID8753627

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2R)-2-{(1S,2S,6R)-2-[(1E)-3-Hydroxy-2-{(2R,3R,6S)-6-[(1E,3S)-3-{(2R,3S,5R)-5-[(1S)-1-méthoxyéthyl]-3-méthyltétrahydro-2-furanyl}-1-butén-1-yl]-3-méthyltétrahydro-2H-pyran-2-yl}-1-propén-1-yl]-6-méthy lcyclohexyl}propanoate de méthyle [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 2-[(1E)-3-hydroxy-2-[(2R,3R,6S)-tetrahydro-3-methyl-6-[(1E,3S)-3-[(2R,3S,5R)-tetrahydro-5-[(1S)-1-methoxyethyl]-3-methyl-2-furanyl]-1-buten-1-yl]-2H-pyran-2-yl]-1-propen-1-yl]- ;α,6-dimethyl-, methyl ester, (αR,1S,2S,6R)- [ACD/Index Name]
Methyl (2R)-2-{(1S,2S,6R)-2-[(1E)-3-hydroxy-2-{(2R,3R,6S)-6-[(1E,3S)-3-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyltetrahydro-2-furanyl}-1-buten-1-yl]-3-methyltetrahydro-2H-pyran-2-yl}-1-propen-1-yl]- 6-methylcyclohexyl}propanoate [ACD/IUPAC Name]
Methyl-(2R)-2-{(1S,2S,6R)-2-[(1E)-3-hydroxy-2-{(2R,3R,6S)-6-[(1E,3S)-3-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyltetrahydro-2-furanyl}-1-buten-1-yl]-3-methyltetrahydro-2H-pyran-2-yl}-1-propen-1-yl]- 6-methylcyclohexyl}propanoat [German] [ACD/IUPAC 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: 593.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.5±6.0 kJ/mol
Flash Point: 176.0±23.6 °C
Index of Refraction: 1.527
Molar Refractivity: 155.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24198.67
ACD/KOC (pH 5.5): 47808.32
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24198.67
ACD/KOC (pH 7.4): 47808.32
Polar Surface Area: 74 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 506.5±3.0 cm3

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