ChemSpider 2D Image | 5-Methyl-3-{2,6,8-trihydroxy-9-[5-(1,4,5-trihydroxyheptadecyl)tetrahydro-2-furanyl]nonyl}-2(5H)-furanone | C35H64O9

5-Methyl-3-{2,6,8-trihydroxy-9-[5-(1,4,5-trihydroxyheptadecyl)tetrahydro-2-furanyl]nonyl}-2(5H)-furanone

  • Molecular FormulaC35H64O9
  • Average mass628.877 Da
  • Monoisotopic mass628.455017 Da
  • ChemSpider ID8162059

More details:

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

2(5H)-Furanone, 5-methyl-3-[2,6,8-trihydroxy-9-[tetrahydro-5-(1,4,5-trihydroxyheptadecyl)-2-furanyl]nonyl]- [ACD/Index Name]
5-Methyl-3-{2,6,8-trihydroxy-9-[5-(1,4,5-trihydroxyheptadecyl)tetrahydro-2-furanyl]nonyl}-2(5H)-furanon [German] [ACD/IUPAC Name]
5-Methyl-3-{2,6,8-trihydroxy-9-[5-(1,4,5-trihydroxyheptadecyl)tetrahydro-2-furanyl]nonyl}-2(5H)-furanone [ACD/IUPAC Name]
5-Méthyl-3-{2,6,8-trihydroxy-9-[5-(1,4,5-trihydroxyheptadécyl)tétrahydro-2-furanyl]nonyl}-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: 819.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.5±6.0 kJ/mol
Flash Point: 247.6±27.8 °C
Index of Refraction: 1.519
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: 2.71
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2030.56
ACD/KOC (pH 5.5): 8113.11
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2030.56
ACD/KOC (pH 7.4): 8113.11
Polar Surface Area: 157 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 566.6±3.0 cm3

Click to predict properties on the Chemicalize site


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