ChemSpider 2D Image | (7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-7,10,12,14-pentadecatetraenoatato | C22H31O3

(7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-7,10,12,14-pentadecatetraenoatato

  • Molecular FormulaC22H31O3
  • Average mass343.480 Da
  • Monoisotopic mass343.227875 Da
  • ChemSpider ID76963187

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-7,10,12,14-pentadecatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-7,10,12,14-pentadecatetraenoatato [ACD/IUPAC Name]
(7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-2-Pentén-1-yl]-2-oxiranyl}-7,10,12,14-pentadécatétraénoate [French] [ACD/IUPAC Name]
7,10,12,14-Pentadecatetraenoato, 15-[(2S,3S)-3-[(2Z)-2-penten-1-yl]oxiranyl]-, ion(1-), (7Z,10Z,12E,14E)- [ACD/Index Name]
(16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosa-7,10,12,14,19-pentaenoate
(7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-7,10,12,14-tetraenoate
16(S),17(S)-epoxy-DPA(n-3)(1-)
16(S),17(S)-epoxy-ω-3-docosapentaenoate

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

Density:
Boiling Point: 482.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 159.1±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: 5.60
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 938.18
ACD/KOC (pH 5.5): 2749.55
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 15.01
ACD/KOC (pH 7.4): 43.98
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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