ChemSpider 2D Image | [(3S,6S)-6-{(2S,5S)-5-[(9Z,11Z)-9,11,15-Hexadecatrien-1-yl]tetrahydro-2-furanyl}-1,2-dioxan-3-yl]acetic acid | C26H42O5

[(3S,6S)-6-{(2S,5S)-5-[(9Z,11Z)-9,11,15-Hexadecatrien-1-yl]tetrahydro-2-furanyl}-1,2-dioxan-3-yl]acetic acid

  • Molecular FormulaC26H42O5
  • Average mass434.609 Da
  • Monoisotopic mass434.303223 Da
  • ChemSpider ID25065574

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(3S,6S)-6-{(2S,5S)-5-[(9Z,11Z)-9,11,15-Hexadecatrien-1-yl]tetrahydro-2-furanyl}-1,2-dioxan-3-yl]acetic acid [ACD/IUPAC Name]
[(3S,6S)-6-{(2S,5S)-5-[(9Z,11Z)-9,11,15-Hexadecatrien-1-yl]tetrahydro-2-furanyl}-1,2-dioxan-3-yl]essigsäure [German] [ACD/IUPAC Name]
1,2-Dioxane-3-acetic acid, 6-[(2S,5S)-5-[(9Z,11Z)-9,11,15-hexadecatrien-1-yl]tetrahydro-2-furanyl]-, (3S,6S)- [ACD/Index Name]
Acide [(3S,6S)-6-{(2S,5S)-5-[(9Z,11Z)-9,11,15-hexadécatrién-1-yl]tétrahydro-2-furanyl}-1,2-dioxan-3-yl]acétique [French] [ACD/IUPAC 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: 550.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 174.1±18.9 °C
Index of Refraction: 1.498
Molar Refractivity: 124.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 2008.35
ACD/KOC (pH 5.5): 3778.92
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 32.19
ACD/KOC (pH 7.4): 60.58
Polar Surface Area: 65 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 425.1±3.0 cm3

Click to predict properties on the Chemicalize site


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