ChemSpider 2D Image | (5S)-3-[(13R)-13-Hydroxy-13-{(2R,2'R)-5'-[(1S)-1-hydroxynonyl]octahydro-2,2'-bifuran-5-yl}-8-oxotridecyl]-5-methyl-2(5H)-furanone | C35H60O7

(5S)-3-[(13R)-13-Hydroxy-13-{(2R,2'R)-5'-[(1S)-1-hydroxynonyl]octahydro-2,2'-bifuran-5-yl}-8-oxotridecyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC35H60O7
  • Average mass592.847 Da
  • Monoisotopic mass592.433899 Da
  • ChemSpider ID8636504

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(5S)-3-[(13R)-13-Hydroxy-13-{(2R,2'R)-5'-[(1S)-1-hydroxynonyl]octahydro-2,2'-bifuran-5-yl}-8-oxotridecyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(13R)-13-Hydroxy-13-{(2R,2'R)-5'-[(1S)-1-hydroxynonyl]octahydro-2,2'-bifuran-5-yl}-8-oxotridecyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(13R)-13-Hydroxy-13-{(2R,2'R)-5'-[(1S)-1-hydroxynonyl]octahydro-2,2'-bifuran-5-yl}-8-oxotridécyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(13R)-13-hydroxy-13-[(2R,2'R)-octahydro-5'-[(1S)-1-hydroxynonyl][2,2'-bifuran]-5-yl]-8-oxotridecyl]-5-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: 744.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.9±6.0 kJ/mol
Flash Point: 225.2±25.0 °C
Index of Refraction: 1.506
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: 5.77
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 61546.68
ACD/KOC (pH 5.5): 93259.63
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 61546.68
ACD/KOC (pH 7.4): 93259.63
Polar Surface Area: 102 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 557.2±3.0 cm3

Click to predict properties on the Chemicalize site


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