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Search term: 78440611 (Found by CSID)
ChemSpider 2D Image | (12R,13S)-12,13-Dihydroxy-9,10-octadecadienoic acid | C18H32O4

(12R,13S)-12,13-Dihydroxy-9,10-octadecadienoic acid

  • Molecular FormulaC18H32O4
  • Average mass312.444 Da
  • Monoisotopic mass312.230072 Da
  • ChemSpider ID78440611

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(12R,13S)-12,13-Dihydroxy-9,10-octadecadienoic acid [ACD/IUPAC Name]
(12R,13S)-12,13-Dihydroxy-9,10-octadecadiensäure [German] [ACD/IUPAC Name]
9,10-Octadecadienoic acid, 12,13-dihydroxy-, (12R,13S)- [ACD/Index Name]
Acide (12R,13S)-12,13-dihydroxy-9,10-octadécadiénoïque [French] [ACD/IUPAC Name]
Puna’auic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 476.5±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.3±6.0 kJ/mol
Flash Point: 256.1±16.6 °C
Index of Refraction: 1.496
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 95.24
ACD/KOC (pH 5.5): 538.55
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 8.64
Polar Surface Area: 78 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 308.3±3.0 cm3

Click to predict properties on the Chemicalize site


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