ChemSpider 2D Image | (5S)-3-[(13R)-13-Hydroxy-14-(2-{[(2S)-2-hydroxydodecyl]oxy}ethoxy)tetradecyl]-5-methyl-2(5H)-furanone | C33H62O6

(5S)-3-[(13R)-13-Hydroxy-14-(2-{[(2S)-2-hydroxydodecyl]oxy}ethoxy)tetradecyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC33H62O6
  • Average mass554.842 Da
  • Monoisotopic mass554.454651 Da
  • ChemSpider ID8274729

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S)-3-[(13R)-13-Hydroxy-14-(2-{[(2S)-2-hydroxydodecyl]oxy}ethoxy)tetradecyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(13R)-13-Hydroxy-14-(2-{[(2S)-2-hydroxydodecyl]oxy}ethoxy)tetradecyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(13R)-13-Hydroxy-14-(2-{[(2S)-2-hydroxydodécyl]oxy}éthoxy)tétradécyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(13R)-13-hydroxy-14-[2-[[(2S)-2-hydroxydodecyl]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: 1.0±0.1 g/cm3
Boiling Point: 672.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 199.7±20.8 °C
Index of Refraction: 1.483
Molar Refractivity: 160.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 8.41
ACD/LogD (pH 5.5): 8.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1295357.25
ACD/LogD (pH 7.4): 8.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1295357.25
Polar Surface Area: 85 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 562.8±3.0 cm3

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