ChemSpider 2D Image | (5S)-3-[(2E,9E,13R)-13-Hydroxy-13-{(2R,5S)-5-[(1S,4E)-1-hydroxy-4-tridecen-1-yl]tetrahydro-2-furanyl}-2,9-tridecadien-1-yl]-5-methyl-2(5H)-furanone | C35H58O5

(5S)-3-[(2E,9E,13R)-13-Hydroxy-13-{(2R,5S)-5-[(1S,4E)-1-hydroxy-4-tridecen-1-yl]tetrahydro-2-furanyl}-2,9-tridecadien-1-yl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC35H58O5
  • Average mass558.832 Da
  • Monoisotopic mass558.428406 Da
  • ChemSpider ID10033016

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S)-3-[(2E,9E,13R)-13-Hydroxy-13-{(2R,5S)-5-[(1S,4E)-1-hydroxy-4-tridecen-1-yl]tetrahydro-2-furanyl}-2,9-tridecadien-1-yl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(2E,9E,13R)-13-Hydroxy-13-{(2R,5S)-5-[(1S,4E)-1-hydroxy-4-tridecen-1-yl]tetrahydro-2-furanyl}-2,9-tridecadien-1-yl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(2E,9E,13R)-13-Hydroxy-13-{(2R,5S)-5-[(1S,4E)-1-hydroxy-4-tridécén-1-yl]tétrahydro-2-furanyl}-2,9-tridécadién-1-yl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(2E,9E,13R)-13-hydroxy-13-[(2R,5S)-tetrahydro-5-[(1S,4E)-1-hydroxy-4-tridecen-1-yl]-2-furanyl]-2,9-tridecadien-1-yl]-5-methyl-, (5S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 695.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.4±6.0 kJ/mol
Flash Point: 208.5±25.0 °C
Index of Refraction: 1.512
Molar Refractivity: 166.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 9.22
ACD/LogD (pH 5.5): 8.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1067809.75
ACD/LogD (pH 7.4): 8.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1067809.75
Polar Surface Area: 76 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 553.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement