ChemSpider 2D Image | (9Z,12S,13S)-12,13-Dihydroxy-9-octadecenoic acid | C18H34O4

(9Z,12S,13S)-12,13-Dihydroxy-9-octadecenoic acid

  • Molecular FormulaC18H34O4
  • Average mass314.460 Da
  • Monoisotopic mass314.245697 Da
  • ChemSpider ID26324122

  • 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,12S,13S)-12,13-Dihydroxy-9-octadecenoic acid [ACD/IUPAC Name]
(9Z,12S,13S)-12,13-Dihydroxy-9-octadecensäure [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 12,13-dihydroxy-, (9Z,12S,13S)- [ACD/Index Name]
Acide (9Z,12S,13S)-12,13-dihydroxy-9-octadécénoïque [French] [ACD/IUPAC Name]
(±)-THREO-12,13-DIHYDROXY-9(Z)-OCTADECENOIC ACID
12,13-Dihydroxyoleic acid
12S,13S-dihydroxy-9Z-Octadecenoic acid
73889-55-1 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 476.0±30.0 °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: 255.8±21.1 °C
Index of Refraction: 1.493
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 140.33
ACD/KOC (pH 5.5): 710.73
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 11.40
Polar Surface Area: 78 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

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