ChemSpider 2D Image | (9Z,11S,14R)-11,14-Dihydroxy-9-octadecen-12-ynoic acid | C18H30O4

(9Z,11S,14R)-11,14-Dihydroxy-9-octadecen-12-ynoic acid

  • Molecular FormulaC18H30O4
  • Average mass310.428 Da
  • Monoisotopic mass310.214417 Da
  • ChemSpider ID78441245

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9Z,11S,14R)-11,14-Dihydroxy-9-octadecen-12-insäure [German] [ACD/IUPAC Name]
(9Z,11S,14R)-11,14-Dihydroxy-9-octadecen-12-ynoic acid [ACD/IUPAC Name]
9-Octadecen-12-ynoic acid, 11,14-dihydroxy-, (9Z,11S,14R)- [ACD/Index Name]
Acide (9Z,11S,14R)-11,14-dihydroxy-9-octadécén-12-ynoïque [French] [ACD/IUPAC Name]
Gallicynoic acid D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 461.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.3±6.0 kJ/mol
Flash Point: 247.1±22.4 °C
Index of Refraction: 1.513
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 33.01
ACD/KOC (pH 5.5): 252.13
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.04
Polar Surface Area: 78 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 293.0±3.0 cm3

Click to predict properties on the Chemicalize site


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