ChemSpider 2D Image | (3R)-3,17-dihydroxymargaric acid | C17H34O4

(3R)-3,17-dihydroxymargaric acid

  • Molecular FormulaC17H34O4
  • Average mass302.449 Da
  • Monoisotopic mass302.245697 Da
  • ChemSpider ID31150804

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3,17-Dihydroxyheptadecanoic acid [ACD/IUPAC Name]
(3R)-3,17-Dihydroxyheptadecansäure [German] [ACD/IUPAC Name]
(3R)-3,17-dihydroxymargaric acid
Acide (3R)-3,17-dihydroxyheptadécanoïque [French] [ACD/IUPAC Name]
Heptadecanoic acid, 3,17-dihydroxy-, (3R)- [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A dihydroxy monocarboxylic acid that is 17-hydroxymargaric acid (17-hydroxyheptadecanoic acid) in which the <ital>pro</ital>-<stereo>R</stereo> hydrogen <locant>beta</locant> to the carboxy group is r eplaced by a hydroxy group. ChEBI CHEBI:79288
      A dihydroxy monocarboxylic acid that is 17-hydroxymargaric acid (17-hydroxyheptadecanoic acid) in which the pro-R hydrogen beta to the carboxy group is r; eplaced by a hydroxy group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:79288
      A dihydroxy monocarboxylic acid that is 17-hydroxymargaric acid (17-hydroxyheptadecanoic acid) in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. ChEBI CHEBI:79288

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

Density: 1.0±0.1 g/cm3
Boiling Point: 462.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.5±6.0 kJ/mol
Flash Point: 247.9±18.3 °C
Index of Refraction: 1.483
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 13.11
ACD/KOC (pH 5.5): 97.45
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 78 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 299.2±3.0 cm3

Click to predict properties on the Chemicalize site


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