ChemSpider 2D Image | (2S)-1-Hydroxy-3-(stearoyloxy)-2-propanyl (10Z,13Z,16Z)-10,13,16-docosatrienoate | C43H78O5

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

  • Molecular FormulaC43H78O5
  • Average mass675.076 Da
  • Monoisotopic mass674.584900 Da
  • ChemSpider ID7822785

  • 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-(stearoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(stearoyloxy)-2-propanyl (10Z,13Z,16Z)-10,13,16-docosatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(stearoyloxy)-2-propanyl-(10Z,13Z,16Z)-10,13,16-docosatrienoat [German] [ACD/IUPAC Name]
10,13,16-Docosatrienoic acid, (1S)-2-hydroxy-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (10Z,13Z,16Z)- [ACD/Index Name]
1-octadecanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
DG(18:0/22:3(10Z,13Z,16Z)/0:0)[iso2]
DG(18:0/22:3/0:0)[iso2]
DG(18:0_22:3)
DG(40:3)

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

LMGL02010170 [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: 709.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.5±6.0 kJ/mol
Flash Point: 192.9±23.6 °C
Index of Refraction: 1.482
Molar Refractivity: 206.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 16.88
ACD/LogD (pH 5.5): 15.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 724.0±3.0 cm3

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