ChemSpider 2D Image | (7Z,10Z,13Z,16Z,19Z)-(21,21,22,22,22-~2~H_5_)-7,10,13,16,19-Docosapentaenoic acid | C22H29D5O2

(7Z,10Z,13Z,16Z,19Z)-(21,21,22,22,22-2H5)-7,10,13,16,19-Docosapentaenoic acid

  • Molecular FormulaC22H29D5O2
  • Average mass335.535 Da
  • Monoisotopic mass335.287262 Da
  • ChemSpider ID21467502
  • 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

(7Z,10Z,13Z,16Z,19Z)-(21,21,22,22,22-2H5)-7,10,13,16,19-Docosapentaenoic acid [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z,19Z)-(21,21,22,22,22-2H5)-7,10,13,16,19-Docosapentaensäure [German] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic-21,21,22,22,22-d5 acid, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
Acide (7Z,10Z,13Z,16Z,19Z)-(21,21,22,22,22-2H5)-7,10,13,16,19-docosapentaénoïque [French] [ACD/IUPAC Name]
1215168-70-9 [RN]
7Z,10Z,13Z,16Z,19Z-docosapentaenoic-21,21,22,22,22-d5 acid
Docosahexaenoic Acid-d5
Docosapentaenoic Acid-d5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 442.2±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±6.0 kJ/mol
Flash Point: 338.9±18.0 °C
Index of Refraction: 1.509
Molar Refractivity: 105.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 7972.05
ACD/KOC (pH 5.5): 12722.23
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 127.52
ACD/KOC (pH 7.4): 203.51
Polar Surface Area: 37 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 354.4±3.0 cm3

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