ChemSpider 2D Image | DHA-d5 | C22H27D5O2

DHA-d5

  • Molecular FormulaC22H27D5O2
  • Average mass333.519 Da
  • Monoisotopic mass333.271606 Da
  • ChemSpider ID21403047

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(4Z,7Z,10Z,13Z,16Z,19Z)-(21,21,22,22,22-2H5)-4,7,10,13,16,19-Docosahexaenoic acid [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-(21,21,22,22,22-2H5)-4,7,10,13,16,19-Docosahexaensäure [German] [ACD/IUPAC Name]
1197205-71-2 [RN]
4,7,10,13,16,19-Docosahexaenoic-21,21,22,22,22-d5 acid, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
Acide (4Z,7Z,10Z,13Z,16Z,19Z)-(21,21,22,22,22-2H5)-4,7,10,13,16,19-docosahexaénoïque [French] [ACD/IUPAC Name]
DHA-d5
Docosahexaenoic Acid-d5
MFCD08062141
(4Z,7Z,10Z,13Z,16Z,19Z)-21,21,22,22,22-pentadeuteriodocosa-4,7,10,13,16,19-hexaenoic acid
4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid (d5)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 446.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 343.4±18.0 °C
Index of Refraction: 1.521
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 3070.59
ACD/KOC (pH 5.5): 5789.98
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 48.25
ACD/KOC (pH 7.4): 90.98
Polar Surface Area: 37 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 348.0±3.0 cm3

Click to predict properties on the Chemicalize site


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