ChemSpider 2D Image | 5-Hydroxy-4-[(2S)-2-{(1S,2S,6R)-2-[(1E)-3-hydroxy-2-{(2R,3R,6S)-6-[(1E,3S)-3-{(3S)-5-[(1S)-1-methoxyethyl]-3-methyltetrahydro-2-furanyl}-1-buten-1-yl]-3-methyltetrahydro-2H-pyran-2-yl}-1-propen-1-yl]- 6-methylcyclohexyl}propanoyl]-3(2H)-furanone | C35H54O8

5-Hydroxy-4-[(2S)-2-{(1S,2S,6R)-2-[(1E)-3-hydroxy-2-{(2R,3R,6S)-6-[(1E,3S)-3-{(3S)-5-[(1S)-1-methoxyethyl]-3-methyltetrahydro-2-furanyl}-1-buten-1-yl]-3-methyltetrahydro-2H-pyran-2-yl}-1-propen-1-yl]- 6-methylcyclohexyl}propanoyl]-3(2H)-furanone

  • Molecular FormulaC35H54O8
  • Average mass602.799 Da
  • Monoisotopic mass602.381897 Da
  • ChemSpider ID8092429

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 12 defined stereocentres

More details:

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

3(2H)-Furanone, 5-hydroxy-4-[(2S)-2-[(1S,2S,6R)-2-[(1E)-3-hydroxy-2-[(2R,3R,6S)-tetrahydro-3-methyl-6-[(1E,3S)-3-[(3S)-tetrahydro-5-[(1S)-1-methoxyethyl]-3-methyl-2-furanyl]-1-buten-1-yl]-2H-pyran-2-y l]-1-propen-1-yl]-6-methylcyclohexyl]-1-oxopropyl]- [ACD/Index Name]
5-Hydroxy-4-[(2S)-2-{(1S,2S,6R)-2-[(1E)-3-hydroxy-2-{(2R,3R,6S)-6-[(1E,3S)-3-{(3S)-5-[(1S)-1-methoxyethyl]-3-methyltetrahydro-2-furanyl}-1-buten-1-yl]-3-methyltetrahydro-2H-pyran-2-yl}-1-propen-1-yl]- 6-methylcyclohexyl}propanoyl]-3(2H)-furanon [German] [ACD/IUPAC Name]
5-Hydroxy-4-[(2S)-2-{(1S,2S,6R)-2-[(1E)-3-hydroxy-2-{(2R,3R,6S)-6-[(1E,3S)-3-{(3S)-5-[(1S)-1-methoxyethyl]-3-methyltetrahydro-2-furanyl}-1-buten-1-yl]-3-methyltetrahydro-2H-pyran-2-yl}-1-propen-1-yl]- 6-methylcyclohexyl}propanoyl]-3(2H)-furanone [ACD/IUPAC Name]
5-Hydroxy-4-[(2S)-2-{(1S,2S,6R)-2-[(1E)-3-hydroxy-2-{(2R,3R,6S)-6-[(1E,3S)-3-{(3S)-5-[(1S)-1-méthoxyéthyl]-3-méthyltétrahydro-2-furanyl}-1-butén-1-yl]-3-méthyltétrahydro-2H-pyran-2-yl}-1-propén-1-yl]- 6-méthylcyclohexyl}propanoyl]-3(2H)-furanone [French] [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: 690.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.7±6.0 kJ/mol
Flash Point: 207.6±25.0 °C
Index of Refraction: 1.563
Molar Refractivity: 168.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 120.86
ACD/KOC (pH 5.5): 545.16
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 9.40
Polar Surface Area: 112 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 518.7±3.0 cm3

Click to predict properties on the Chemicalize site


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