ChemSpider 2D Image | [(3S,6S)-6-{(2S,5R)-5-[6-(2,4,6-Cyclooctatrien-1-yl)hexyl]tetrahydro-2-furanyl}-1,2-dioxan-3-yl]acetic acid | C24H36O5

[(3S,6S)-6-{(2S,5R)-5-[6-(2,4,6-Cyclooctatrien-1-yl)hexyl]tetrahydro-2-furanyl}-1,2-dioxan-3-yl]acetic acid

  • Molecular FormulaC24H36O5
  • Average mass404.540 Da
  • Monoisotopic mass404.256287 Da
  • ChemSpider ID24663133
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres


More details:






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

[(3S,6S)-6-{(2S,5R)-5-[6-(2,4,6-Cyclooctatrien-1-yl)hexyl]tetrahydro-2-furanyl}-1,2-dioxan-3-yl]acetic acid [ACD/IUPAC Name]
[(3S,6S)-6-{(2S,5R)-5-[6-(2,4,6-Cyclooctatrien-1-yl)hexyl]tetrahydro-2-furanyl}-1,2-dioxan-3-yl]essigsäure [German] [ACD/IUPAC Name]
1,2-Dioxane-3-acetic acid, 6-[(2S,5R)-5-[6-(2,4,6-cyclooctatrien-1-yl)hexyl]tetrahydro-2-furanyl]-, (3S,6S)- [ACD/Index Name]
Acide [(3S,6S)-6-{(2S,5R)-5-[6-(2,4,6-cyclooctatrién-1-yl)hexyl]tétrahydro-2-furanyl}-1,2-dioxan-3-yl]acétique [French] [ACD/IUPAC Name]
stolonoxide E

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 545.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 179.7±18.9 °C
Index of Refraction: 1.509
Molar Refractivity: 112.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 295.79
ACD/KOC (pH 5.5): 959.25
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 4.74
ACD/KOC (pH 7.4): 15.38
Polar Surface Area: 65 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 375.6±3.0 cm3

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