ChemSpider 2D Image | (5S)-3-[(13S)-14-(2-{[(2S)-6-Cyclohexyl-2-hydroxyhexyl]oxy}ethoxy)-8,13-dihydroxytetradecyl]-5-methyl-2(5H)-furanone | C33H60O7

(5S)-3-[(13S)-14-(2-{[(2S)-6-Cyclohexyl-2-hydroxyhexyl]oxy}ethoxy)-8,13-dihydroxytetradecyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC33H60O7
  • Average mass568.825 Da
  • Monoisotopic mass568.433899 Da
  • ChemSpider ID26391117

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5S)-3-[(13S)-14-(2-{[(2S)-6-Cyclohexyl-2-hydroxyhexyl]oxy}ethoxy)-8,13-dihydroxytetradecyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(13S)-14-(2-{[(2S)-6-Cyclohexyl-2-hydroxyhexyl]oxy}ethoxy)-8,13-dihydroxytetradecyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(13S)-14-(2-{[(2S)-6-Cyclohexyl-2-hydroxyhexyl]oxy}éthoxy)-8,13-dihydroxytétradécyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(13S)-14-[2-[[(2S)-6-cyclohexyl-2-hydroxyhexyl]oxy]ethoxy]-8,13-dihydroxytetradecyl]-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: 716.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.6±6.0 kJ/mol
Flash Point: 216.9±26.4 °C
Index of Refraction: 1.500
Molar Refractivity: 160.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11098.68
ACD/KOC (pH 5.5): 27364.93
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11098.68
ACD/KOC (pH 7.4): 27364.93
Polar Surface Area: 105 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 544.1±3.0 cm3

Click to predict properties on the Chemicalize site


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