ChemSpider 2D Image | (5S)-3-[(13S)-8,13-Dihydroxy-14-(2-{[(2S)-2-hydroxy-5-phenylpentyl]oxy}ethoxy)tetradecyl]-5-methyl-2(5H)-furanone | C32H52O7

(5S)-3-[(13S)-8,13-Dihydroxy-14-(2-{[(2S)-2-hydroxy-5-phenylpentyl]oxy}ethoxy)tetradecyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC32H52O7
  • Average mass548.751 Da
  • Monoisotopic mass548.371277 Da
  • ChemSpider ID26389538

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5S)-3-[(13S)-8,13-Dihydroxy-14-(2-{[(2S)-2-hydroxy-5-phenylpentyl]oxy}ethoxy)tetradecyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(13S)-8,13-Dihydroxy-14-(2-{[(2S)-2-hydroxy-5-phenylpentyl]oxy}ethoxy)tetradecyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(13S)-8,13-Dihydroxy-14-(2-{[(2S)-2-hydroxy-5-phénylpentyl]oxy}éthoxy)tétradécyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(13S)-8,13-dihydroxy-14-[2-[[(2S)-2-hydroxy-5-phenylpentyl]oxy]ethoxy]tetradecyl]-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: 713.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 220.5±26.4 °C
Index of Refraction: 1.522
Molar Refractivity: 154.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 1
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1938.65
ACD/KOC (pH 5.5): 7848.53
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1938.65
ACD/KOC (pH 7.4): 7848.53
Polar Surface Area: 105 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 505.8±3.0 cm3

Click to predict properties on the Chemicalize site


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