ChemSpider 2D Image | (4Z,7Z,10Z,13Z)-15-{3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-4,7,10,13-pentadecatetraenoate | C22H31O3

(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-4,7,10,13-pentadecatetraenoate

  • Molecular FormulaC22H31O3
  • Average mass343.480 Da
  • Monoisotopic mass343.227875 Da
  • ChemSpider ID58827297
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-4,7,10,13-pentadecatetraenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-4,7,10,13-pentadecatetraenoate [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-2-Pentén-1-yl]-2-oxiranyl}-4,7,10,13-pentadécatétraénoate [French] [ACD/IUPAC Name]
4,7,10,13-Pentadecatetraenoic acid, 15-[3-[(2Z)-2-penten-1-yl]oxiranyl]-, ion(1-), (4Z,7Z,10Z,13Z)- [ACD/Index Name]
(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,13-tetraenoate
(4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoate
16,17-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosapentaenoate
  • Miscellaneous
    • Chemical Class:

      A docosanoid anion that is the conjugate base of (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid, obtained by ; deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133932

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

Density:
Boiling Point: 462.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±6.0 kJ/mol
Flash Point: 150.7±18.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 828.29
ACD/KOC (pH 5.5): 2266.55
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 13.02
ACD/KOC (pH 7.4): 35.61
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

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