ChemSpider 2D Image | (5S)-3-[(13S)-14-(2-{[(2S)-5-(4-Biphenylyl)-2-hydroxypentyl]oxy}ethoxy)-8,13-dihydroxytetradecyl]-5-methyl-2(5H)-furanone | C38H56O7

(5S)-3-[(13S)-14-(2-{[(2S)-5-(4-Biphenylyl)-2-hydroxypentyl]oxy}ethoxy)-8,13-dihydroxytetradecyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC38H56O7
  • Average mass624.847 Da
  • Monoisotopic mass624.402588 Da
  • ChemSpider ID26390456

  • 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)-5-(4-Biphenylyl)-2-hydroxypentyl]oxy}ethoxy)-8,13-dihydroxytetradecyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(13S)-14-(2-{[(2S)-5-(4-Biphenylyl)-2-hydroxypentyl]oxy}ethoxy)-8,13-dihydroxytetradecyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(13S)-14-(2-{[(2S)-5-(4-Biphénylyl)-2-hydroxypentyl]oxy}éthoxy)-8,13-dihydroxytétradécyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(13S)-14-[2-[[(2S)-5-[1,1'-biphenyl]-4-yl-2-hydroxypentyl]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: 1.1±0.1 g/cm3
Boiling Point: 788.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 237.7±26.4 °C
Index of Refraction: 1.539
Molar Refractivity: 178.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26547.21
ACD/KOC (pH 5.5): 51085.51
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26547.21
ACD/KOC (pH 7.4): 51085.51
Polar Surface Area: 105 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 571.1±3.0 cm3

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