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Search term: 113369292 (Found by CSID)
ChemSpider 2D Image | (9R,10E,12R)-12-[(2R,4S,5S)-5-Ethyl-4-hydroxytetrahydro-2-furanyl]-9,12-dihydroxy-10-dodecenoic acid | C18H32O6

(9R,10E,12R)-12-[(2R,4S,5S)-5-Ethyl-4-hydroxytetrahydro-2-furanyl]-9,12-dihydroxy-10-dodecenoic acid

  • Molecular FormulaC18H32O6
  • Average mass344.443 Da
  • Monoisotopic mass344.219879 Da
  • ChemSpider ID113369292

  • 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

(9R,10E,12R)-12-[(2R,4S,5S)-5-Ethyl-4-hydroxytetrahydro-2-furanyl]-9,12-dihydroxy-10-dodecenoic acid [ACD/IUPAC Name]
(9R,10E,12R)-12-[(2R,4S,5S)-5-Ethyl-4-hydroxytetrahydro-2-furanyl]-9,12-dihydroxy-10-dodecensäure [German] [ACD/IUPAC Name]
10-Dodecenoic acid, 12-[(2R,4S,5S)-5-ethyltetrahydro-4-hydroxy-2-furanyl]-9,12-dihydroxy-, (9R,10E,12R)- [ACD/Index Name]
Acide (9R,10E,12R)-12-[(2R,4S,5S)-5-éthyl-4-hydroxytétrahydro-2-furanyl]-9,12-dihydroxy-10-dodécénoïque [French] [ACD/IUPAC Name]
(9R,12R,15S)-d10-13-PhytoF[13R,16S]
(9R,12R,E)-12-((2R,4S,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.1±6.0 kJ/mol
Flash Point: 182.1±23.6 °C
Index of Refraction: 1.523
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 34.42
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 298.6±3.0 cm3

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