ChemSpider 2D Image | (9S,12R)-9,12-Dihydroxy-10-hexadecynoic acid | C16H28O4

(9S,12R)-9,12-Dihydroxy-10-hexadecynoic acid

  • Molecular FormulaC16H28O4
  • Average mass284.391 Da
  • Monoisotopic mass284.198761 Da
  • ChemSpider ID78440967

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9S,12R)-9,12-Dihydroxy-10-hexadecinsäure [German] [ACD/IUPAC Name]
(9S,12R)-9,12-Dihydroxy-10-hexadecynoic acid [ACD/IUPAC Name]
10-Hexadecynoic acid, 9,12-dihydroxy-, (9S,12R)- [ACD/Index Name]
Acide (9S,12R)-9,12-dihydroxy-10-hexadécynoïque [French] [ACD/IUPAC Name]
9S,12R-dihydroxy-hexadeca-10-ynoic acid
Gallicynoic acid H

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

Density: 1.1±0.1 g/cm3
Boiling Point: 470.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.5±6.0 kJ/mol
Flash Point: 252.3±23.8 °C
Index of Refraction: 1.503
Molar Refractivity: 78.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 10.65
ACD/KOC (pH 5.5): 112.19
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.80
Polar Surface Area: 78 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 266.3±3.0 cm3

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