ChemSpider 2D Image | (5S)-3-({(2R,5R)-5-[(8R)-8-Hydroxy-8-{(2R,5R)-5-[(1S)-1-hydroxytridecyl]tetrahydro-2-furanyl}-2-oxooctyl]tetrahydro-2-furanyl}methyl)-5-methyl-2(5H)-furanone | C35H60O7

(5S)-3-({(2R,5R)-5-[(8R)-8-Hydroxy-8-{(2R,5R)-5-[(1S)-1-hydroxytridecyl]tetrahydro-2-furanyl}-2-oxooctyl]tetrahydro-2-furanyl}methyl)-5-methyl-2(5H)-furanone

  • Molecular FormulaC35H60O7
  • Average mass592.847 Da
  • Monoisotopic mass592.433899 Da
  • ChemSpider ID8730827

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5S)-3-({(2R,5R)-5-[(8R)-8-Hydroxy-8-{(2R,5R)-5-[(1S)-1-hydroxytridecyl]tetrahydro-2-furanyl}-2-oxooctyl]tetrahydro-2-furanyl}methyl)-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-({(2R,5R)-5-[(8R)-8-Hydroxy-8-{(2R,5R)-5-[(1S)-1-hydroxytridecyl]tetrahydro-2-furanyl}-2-oxooctyl]tetrahydro-2-furanyl}methyl)-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-({(2R,5R)-5-[(8R)-8-Hydroxy-8-{(2R,5R)-5-[(1S)-1-hydroxytridécyl]tétrahydro-2-furanyl}-2-oxooctyl]tétrahydro-2-furanyl}méthyl)-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-methyl-3-[[(2R,5R)-tetrahydro-5-[(8R)-8-hydroxy-2-oxo-8-[(2R,5R)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]octyl]-2-furanyl]methyl]-, (5S)- [ACD/Index 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: 741.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.5±6.0 kJ/mol
Flash Point: 224.2±20.8 °C
Index of Refraction: 1.503
Molar Refractivity: 165.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 190126.33
ACD/KOC (pH 5.5): 209080.92
ACD/LogD (pH 7.4): 7.25
ACD/BCF (pH 7.4): 190126.33
ACD/KOC (pH 7.4): 209080.92
Polar Surface Area: 102 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 560.7±3.0 cm3

Click to predict properties on the Chemicalize site


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