ChemSpider 2D Image | (2S)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-hydroxypropyl (10Z,13Z,16Z)-10,13,16-docosatrienoate | C47H82O5

(2S)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-hydroxypropyl (10Z,13Z,16Z)-10,13,16-docosatrienoate

  • Molecular FormulaC47H82O5
  • Average mass727.151 Da
  • Monoisotopic mass726.616211 Da
  • ChemSpider ID7822902

  • 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

(10Z,13Z,16Z)-10,13,16-Docosatriénoate de (2S)-2-[(13Z,16Z)-13,16-docosadienoyloxy]-3-hydroxypropyle [French] [ACD/IUPAC Name]
(2S)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-hydroxypropyl (10Z,13Z,16Z)-10,13,16-docosatrienoate [ACD/IUPAC Name]
(2S)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-hydroxypropyl-(10Z,13Z,16Z)-10,13,16-docosatrienoat [German] [ACD/IUPAC Name]
10,13,16-Docosatrienoic acid, (2S)-3-hydroxy-2-[[(13Z,16Z)-1-oxo-13,16-docosadien-1-yl]oxy]propyl ester, (10Z,13Z,16Z)- [ACD/Index Name]
1-(10Z,13Z,16Z-docosatrienoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycerol
DG(22:2_22:3)
DG(22:3(10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)[iso2]
DG(22:3/22:2/0:0)[iso2]
DG(44:5)

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

LMGL02010287 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 745.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.0±6.0 kJ/mol
Flash Point: 199.4±25.0 °C
Index of Refraction: 1.491
Molar Refractivity: 225.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 17.97
ACD/LogD (pH 5.5): 14.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.96
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: 35.8±3.0 dyne/cm
Molar Volume: 777.3±3.0 cm3

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