Found 1 result

Search term: 113369870 (Found by CSID)
ChemSpider 2D Image | 4-{(2S,3R,5S)-5-[(1R,2Z,4S,6Z)-1,4-Dihydroxy-2,6-dodecadien-1-yl]-3-hydroxytetrahydro-2-furanyl}butanoic acid | C20H34O6

4-{(2S,3R,5S)-5-[(1R,2Z,4S,6Z)-1,4-Dihydroxy-2,6-dodecadien-1-yl]-3-hydroxytetrahydro-2-furanyl}butanoic acid

  • Molecular FormulaC20H34O6
  • Average mass370.480 Da
  • Monoisotopic mass370.235535 Da
  • ChemSpider ID113369870

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Furanbutanoic acid, 5-[(1R,2Z,4S,6Z)-1,4-dihydroxy-2,6-dodecadien-1-yl]tetrahydro-3-hydroxy-, (2S,3R,5S)- [ACD/Index Name]
4-{(2S,3R,5S)-5-[(1R,2Z,4S,6Z)-1,4-Dihydroxy-2,6-dodecadien-1-yl]-3-hydroxytetrahydro-2-furanyl}butanoic acid [ACD/IUPAC Name]
4-{(2S,3R,5S)-5-[(1R,2Z,4S,6Z)-1,4-Dihydroxy-2,6-dodecadien-1-yl]-3-hydroxytetrahydro-2-furanyl}butansäure [German] [ACD/IUPAC Name]
Acide 4-{(2S,3R,5S)-5-[(1R,2Z,4S,6Z)-1,4-dihydroxy-2,6-dodécadién-1-yl]-3-hydroxytétrahydro-2-furanyl}butanoïque [French] [ACD/IUPAC Name]
(6R,9R,12S)-d10-5-IsoF[5S,8S]
4-((2S,3R,5S)-5-((1R,2Z,4S,6Z)-1,4-dihydroxydodeca-2,6-dien-1-yl)-3-hydroxytetrahydrofuran-2-yl)butanoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 584.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 200.5±22.2 °C
Index of Refraction: 1.530
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 5.31
ACD/KOC (pH 5.5): 67.31
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.07
Polar Surface Area: 107 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 325.2±3.0 cm3

Click to predict properties on the Chemicalize site


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