ChemSpider 2D Image | (2S)-3-Hydroxy-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl (15Z)-15-tetracosenoate | C47H80O5

(2S)-3-Hydroxy-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl (15Z)-15-tetracosenoate

  • Molecular FormulaC47H80O5
  • Average mass725.135 Da
  • Monoisotopic mass724.600586 Da
  • ChemSpider ID24766497

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(15Z)-15-Tétracosénoate de (2S)-3-hydroxy-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyle [French] [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (2S)-3-hydroxy-2-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]propyl ester, (15Z)- [ACD/Index Name]
(2S)-3-hydroxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl (15Z)-tetracos-15-enoate
1-Nervonoyl-2-eicosapentaenoyl-sn-glycerol
DAG(24:1/20:5)
DAG(24:1n9/20:5n3)
DAG(24:1w9/20:5w3)
DAG(44:6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 744.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.9±6.0 kJ/mol
Flash Point: 199.7±26.4 °C
Index of Refraction: 1.496
Molar Refractivity: 225.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 17.25
ACD/LogD (pH 5.5): 14.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 770.9±3.0 cm3

Click to predict properties on the Chemicalize site


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