ChemSpider 2D Image | (2S)-1-Hydroxy-3-(icosanoyloxy)-2-propanyl (10Z,13Z,16Z)-10,13,16-docosatrienoate | C45H82O5

(2S)-1-Hydroxy-3-(icosanoyloxy)-2-propanyl (10Z,13Z,16Z)-10,13,16-docosatrienoate

  • Molecular FormulaC45H82O5
  • Average mass703.130 Da
  • Monoisotopic mass702.616211 Da
  • ChemSpider ID7822836

  • 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)-1-hydroxy-3-(icosanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(icosanoyloxy)-2-propanyl (10Z,13Z,16Z)-10,13,16-docosatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(icosanoyloxy)-2-propanyl-(10Z,13Z,16Z)-10,13,16-docosatrienoat [German] [ACD/IUPAC Name]
10,13,16-Docosatrienoic acid, (1S)-2-hydroxy-1-[[(1-oxoeicosyl)oxy]methyl]ethyl ester, (10Z,13Z,16Z)- [ACD/Index Name]
1-eicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
DG(20:0/22:3(10Z,13Z,16Z)/0:0)[iso2]
DG(20:0/22:3/0:0)[iso2]
DG(20:0_22:3)
DG(42:3)

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

LMGL02010221 [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: 728.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.4±6.0 kJ/mol
Flash Point: 195.8±23.6 °C
Index of Refraction: 1.482
Molar Refractivity: 215.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 17.94
ACD/LogD (pH 5.5): 16.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 757.0±3.0 cm3

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