Found 1 result

Search term: 7825461 (Found by CSID)
ChemSpider 2D Image | (2R)-3-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-1,2-propanediyl (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-4,7,10,13,16,19-docosahexaenoate) | C67H100O6

(2R)-3-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-1,2-propanediyl (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-4,7,10,13,16,19-docosahexaenoate)

  • Molecular FormulaC67H100O6
  • Average mass1001.507 Da
  • Monoisotopic mass1000.752014 Da
  • ChemSpider ID7825461

  • 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

(2R)-3-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-1,2-propandiyl-(4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-4,7,10,13,16,19-docosahexaenoat) [German] [ACD/IUPAC Name]
(2R)-3-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-1,2-propanediyl (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-4,7,10,13,16,19-docosahexaenoate) [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)Bis(-4,7,10,13,16,19-docosahexaénoate) de (2R)-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (1R)-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]-1-[[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z, 13Z,16Z,19Z)- [ACD/Index Name]
1-(8Z,11Z,14Z-eicosatrienoyl)-2,3-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
TG(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]
TG(20:3/22:6/22:6)[iso3]
TG(20:322:622:6)
TG(64:15)

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

LMGL03012553 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 893.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.9±3.0 kJ/mol
Flash Point: 323.1±34.3 °C
Index of Refraction: 1.519
Molar Refractivity: 318.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 21.74
ACD/LogD (pH 5.5): 18.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 126.3±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 1049.5±3.0 cm3

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