ChemSpider 2D Image | 3-[(2R,8R)-2,8-Dihydroxy-9-{(2S,5S)-5-[(1S,4S,5R)-1,4,5-trihydroxyheptadecyl]tetrahydro-2-furanyl}nonyl]-5-hydroxy-5-methyl-2(5H)-furanone | C35H64O9

3-[(2R,8R)-2,8-Dihydroxy-9-{(2S,5S)-5-[(1S,4S,5R)-1,4,5-trihydroxyheptadecyl]tetrahydro-2-furanyl}nonyl]-5-hydroxy-5-methyl-2(5H)-furanone

  • Molecular FormulaC35H64O9
  • Average mass628.877 Da
  • Monoisotopic mass628.455017 Da
  • ChemSpider ID8184748

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

2(5H)-Furanone, 3-[(2R,8R)-2,8-dihydroxy-9-[(2S,5S)-tetrahydro-5-[(1S,4S,5R)-1,4,5-trihydroxyheptadecyl]-2-furanyl]nonyl]-5-hydroxy-5-methyl- [ACD/Index Name]
3-[(2R,8R)-2,8-Dihydroxy-9-{(2S,5S)-5-[(1S,4S,5R)-1,4,5-trihydroxyheptadecyl]tetrahydro-2-furanyl}nonyl]-5-hydroxy-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
3-[(2R,8R)-2,8-Dihydroxy-9-{(2S,5S)-5-[(1S,4S,5R)-1,4,5-trihydroxyheptadecyl]tetrahydro-2-furanyl}nonyl]-5-hydroxy-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
3-[(2R,8R)-2,8-Dihydroxy-9-{(2S,5S)-5-[(1S,4S,5R)-1,4,5-trihydroxyheptadécyl]tétrahydro-2-furanyl}nonyl]-5-hydroxy-5-méthyl-2(5H)-furanone [French] [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: 815.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 134.9±6.0 kJ/mol
Flash Point: 246.3±27.8 °C
Index of Refraction: 1.522
Molar Refractivity: 172.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1451.80
ACD/KOC (pH 5.5): 6380.97
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1448.56
ACD/KOC (pH 7.4): 6366.77
Polar Surface Area: 157 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 564.1±3.0 cm3

Click to predict properties on the Chemicalize site


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