ChemSpider 2D Image | (2S)-2-(Docosanoyloxy)-3-hydroxypropyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C47H84O5

(2S)-2-(Docosanoyloxy)-3-hydroxypropyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC47H84O5
  • Average mass729.167 Da
  • Monoisotopic mass728.631897 Da
  • ChemSpider ID24766359

  • 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

(2S)-2-(Docosanoyloxy)-3-hydroxypropyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2S)-2-(Docosanoyloxy)-3-hydroxypropyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (2S)-2-(docosanoyloxy)-3-hydroxypropyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (2S)-3-hydroxy-2-[(1-oxodocosyl)oxy]propyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2S)-2-(docosanoyloxy)-3-hydroxypropyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
1-Adrenoyl-2-behenoyl-sn-glycerol
DAG(22:4/22:0)
DAG(22:4n6/22:0)
DAG(22:4w6/22:0)
DAG(44:4)
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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: 746.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.1±6.0 kJ/mol
Flash Point: 199.0±26.4 °C
Index of Refraction: 1.486
Molar Refractivity: 225.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 18.32
ACD/LogD (pH 5.5): 16.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.2±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 783.7±3.0 cm3

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