ChemSpider 2D Image | 4-Hydroxy-3-[(2R)-2-{(1R,2R,6S)-2-[(1E)-3-hydroxy-2-{(2S,3S,6R)-6-[(1E)-3-{(2S,5R)-5-[(1R)-1-methoxyethyl]tetrahydro-2-furanyl}-1-propen-1-yl]-3-methyltetrahydro-2H-pyran-2-yl}-1-propen-1-yl]-6-methyl cyclohexyl}propanoyl]-5-methylene-2(5H)-furanone | C34H50O8

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

  • Molecular FormulaC34H50O8
  • Average mass586.756 Da
  • Monoisotopic mass586.350586 Da
  • ChemSpider ID59701506

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2(5H)-Furanone, 4-hydroxy-3-[(2R)-2-[(1R,2R,6S)-2-[(1E)-3-hydroxy-2-[(2S,3S,6R)-tetrahydro-3-methyl-6-[(1E)-3-[(2S,5R)-tetrahydro-5-[(1R)-1-methoxyethyl]-2-furanyl]-1-propen-1-yl]-2H-pyran-2-yl]-1-pro pen-1-yl]-6-methylcyclohexyl]-1-oxopropyl]-5-methylene- [ACD/Index Name]
4-Hydroxy-3-[(2R)-2-{(1R,2R,6S)-2-[(1E)-3-hydroxy-2-{(2S,3S,6R)-6-[(1E)-3-{(2S,5R)-5-[(1R)-1-methoxyethyl]tetrahydro-2-furanyl}-1-propen-1-yl]-3-methyltetrahydro-2H-pyran-2-yl}-1-propen-1-yl]-6-methyl cyclohexyl}propanoyl]-5-methylen-2(5H)-furanon [German] [ACD/IUPAC Name]
4-Hydroxy-3-[(2R)-2-{(1R,2R,6S)-2-[(1E)-3-hydroxy-2-{(2S,3S,6R)-6-[(1E)-3-{(2S,5R)-5-[(1R)-1-methoxyethyl]tetrahydro-2-furanyl}-1-propen-1-yl]-3-methyltetrahydro-2H-pyran-2-yl}-1-propen-1-yl]-6-methyl cyclohexyl}propanoyl]-5-methylene-2(5H)-furanone [ACD/IUPAC Name]
4-Hydroxy-3-[(2R)-2-{(1R,2R,6S)-2-[(1E)-3-hydroxy-2-{(2S,3S,6R)-6-[(1E)-3-{(2S,5R)-5-[(1R)-1-méthoxyéthyl]tétrahydro-2-furanyl}-1-propén-1-yl]-3-méthyltétrahydro-2H-pyran-2-yl}-1-propén-1-yl]-6-méthyl cyclohexyl}propanoyl]-5-méthylène-2(5H)-furanone [French] [ACD/IUPAC Name]
nchembio.285-comp9

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

Density: 1.2±0.1 g/cm3
Boiling Point: 688.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 209.9±25.0 °C
Index of Refraction: 1.551
Molar Refractivity: 159.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 241.74
ACD/KOC (pH 5.5): 895.42
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 4.17
ACD/KOC (pH 7.4): 15.45
Polar Surface Area: 112 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 501.2±5.0 cm3

Click to predict properties on the Chemicalize site


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