ChemSpider 2D Image | (5S)-3-{(13R)-13-Hydroxy-13-[(2R,2'R,5R,5'S)-5'-undecyloctahydro-2,2'-bifuran-5-yl]tridecyl}-5-methyl-2(5H)-furanone | C37H66O5

(5S)-3-{(13R)-13-Hydroxy-13-[(2R,2'R,5R,5'S)-5'-undecyloctahydro-2,2'-bifuran-5-yl]tridecyl}-5-methyl-2(5H)-furanone

  • Molecular FormulaC37H66O5
  • Average mass590.917 Da
  • Monoisotopic mass590.491028 Da
  • ChemSpider ID23235139

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5S)-3-{(13R)-13-Hydroxy-13-[(2R,2'R,5R,5'S)-5'-undecyloctahydro-2,2'-bifuran-5-yl]tridecyl}-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-{(13R)-13-Hydroxy-13-[(2R,2'R,5R,5'S)-5'-undecyloctahydro-2,2'-bifuran-5-yl]tridecyl}-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-{(13R)-13-Hydroxy-13-[(2R,2'R,5R,5'S)-5'-undécyloctahydro-2,2'-bifuran-5-yl]tridécyl}-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
(5S)-3-{(13R)-13-hydroxy-13-[(2R,2'R,5R,5'S)-5'-undecyloctahydro-2,2'-bifuran-5-yl]tridecyl}-5-methylfuran-2(5H)-one
2(5H)-Furanone, 3-[(13R)-13-hydroxy-13-[(2R,2'R,5R,5'S)-octahydro-5'-undecyl[2,2'-bifuran]-5-yl]tridecyl]-5-methyl-, (5S)- [ACD/Index Name]
(S)-3-[(R)-13-Hydroxy-13-((2R,5R,1'S,3'R)-5'-undecyl-octahydro-[2,2']bifuranyl-5-yl)-tridecyl]-5-methyl-5H-furan-2-one
CHEMBL166222

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

Density: 1.0±0.1 g/cm3
Boiling Point: 691.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.9±6.0 kJ/mol
Flash Point: 202.4±18.1 °C
Index of Refraction: 1.492
Molar Refractivity: 173.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 10.73
ACD/LogD (pH 5.5): 10.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 65 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 597.5±3.0 cm3

Click to predict properties on the Chemicalize site


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