ChemSpider 2D Image | (2S)-2-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-3-hydroxypropyl (15Z)-15-tetracosenoate | C49H84O5

(2S)-2-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-3-hydroxypropyl (15Z)-15-tetracosenoate

  • Molecular FormulaC49H84O5
  • Average mass753.188 Da
  • Monoisotopic mass752.631897 Da
  • ChemSpider ID24766502
  • 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)-2-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoyloxy]-3-hydroxypropyle [French] [ACD/IUPAC Name]
(2S)-2-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-3-hydroxypropyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(2S)-2-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-3-hydroxypropyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (2S)-3-hydroxy-2-[[(4Z,7Z,10Z,13Z,16Z)-1-oxo-4,7,10,13,16-docosapentaen-1-yl]oxy]propyl ester, (15Z)- [ACD/Index Name]
(2S)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-hydroxypropyl (15Z)-tetracos-15-enoate
1-Nervonoyl-2-docosapentaenoyl-sn-glycerol
1-Nervonoyl-2-osbondoyl-sn-glycerol
DAG(24:1/22:5)
DAG(24:1n9/22:5n6)
DAG(24:1w9/22:5w6)
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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

Density: 0.9±0.1 g/cm3
Boiling Point: 763.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.7±6.0 kJ/mol
Flash Point: 202.4±26.4 °C
Index of Refraction: 1.495
Molar Refractivity: 234.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 18.38
ACD/LogD (pH 5.5): 15.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 803.9±3.0 cm3

Click to predict properties on the Chemicalize site






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