ChemSpider 2D Image | 5-{(6R)-2,4-Dihydroxy-6-[(1E)-3-hydroxy-1-octen-1-yl]cyclohexyl}pentanoic acid | C19H34O5

5-{(6R)-2,4-Dihydroxy-6-[(1E)-3-hydroxy-1-octen-1-yl]cyclohexyl}pentanoic acid

  • Molecular FormulaC19H34O5
  • Average mass342.470 Da
  • Monoisotopic mass342.240631 Da
  • ChemSpider ID21467530

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 5 defined stereocentres

More details:

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

5-{(6R)-2,4-Dihydroxy-6-[(1E)-3-hydroxy-1-octen-1-yl]cyclohexyl}pentanoic acid [ACD/IUPAC Name]
5-{(6R)-2,4-Dihydroxy-6-[(1E)-3-hydroxy-1-octen-1-yl]cyclohexyl}pentansäure [German] [ACD/IUPAC Name]
Acide 5-{(6R)-2,4-dihydroxy-6-[(1E)-3-hydroxy-1-octén-1-yl]cyclohexyl}pentanoïque [French] [ACD/IUPAC Name]
Cyclohexanepentanoic acid, 2,4-dihydroxy-6-[(1E)-3-hydroxy-1-octen-1-yl]-, (6R)- [ACD/Index Name]
2,3-dinor Thromboxane B1

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

Density: 1.1±0.1 g/cm3
Boiling Point: 537.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 292.9±26.6 °C
Index of Refraction: 1.557
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 9.78
ACD/KOC (pH 5.5): 104.98
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.68
Polar Surface Area: 98 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 298.4±3.0 cm3

Click to predict properties on the Chemicalize site


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