ChemSpider 2D Image | (3R,16R)-3,16-dihydroxymargaric acid | C17H34O4

(3R,16R)-3,16-dihydroxymargaric acid

  • Molecular FormulaC17H34O4
  • Average mass302.449 Da
  • Monoisotopic mass302.245697 Da
  • ChemSpider ID31150771

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,16R)-3,16-Dihydroxyheptadecanoic acid [ACD/IUPAC Name]
(3R,16R)-3,16-Dihydroxyheptadecansäure [German] [ACD/IUPAC Name]
(3R,16R)-3,16-dihydroxymargaric acid
Acide (3R,16R)-3,16-dihydroxyheptadécanoïque [French] [ACD/IUPAC Name]
Heptadecanoic acid, 3,16-dihydroxy-, (3R,16R)- [ACD/Index Name]
(R,R)-3,16-dihydroxyheptadecanoic acid
(R,R)-3,16-dihydroxymargaric acid
  • Miscellaneous

    • Chemical Class:

      An (<locant>omega</locant><minus/>1)-hydroxy fatty acid that is (16<stereo>R</stereo>)-16-hydroxymargaric acid ((16<stereo>R</stereo>)-16-hydroxyheptadecanoic acid) in which the 3-<ital>pro</ital>-<st ereo>R</stereo> hydrogen is replaced by a hydroxy group. ChEBI CHEBI:79249
      An (omega-1)-hydroxy fatty acid that is (16R)-16-hydroxymargaric acid ((16R)-16-hydroxyheptadecanoic acid) in which the 3-pro-R hydrogen is replaced by a hydroxy group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:79249, CHEBI:79249

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

Density: 1.0±0.1 g/cm3
Boiling Point: 457.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±6.0 kJ/mol
Flash Point: 244.9±18.3 °C
Index of Refraction: 1.482
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 11.05
ACD/KOC (pH 5.5): 86.24
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.41
Polar Surface Area: 78 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 299.5±3.0 cm3

Click to predict properties on the Chemicalize site


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