ChemSpider 2D Image | 1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol | C47H68O5

1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol

  • Molecular FormulaC47H68O5
  • Average mass713.040 Da
  • Monoisotopic mass712.506653 Da
  • ChemSpider ID7822921

  • 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)-3-Hydroxy-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]
(2S)-3-Hydroxy-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 (2S)-3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol
4,7,10,13,16,19-Docosahexaenoic acid, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester, (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)- [ACD/Index Name]
(2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-hydroxypropan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
(2S)-3-hydroxypropane-1,2-diyl (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis-docosa-4,7,10,13,16,19-hexaenoate
1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
1,2-Didocosahexaenoyl-rac-glycerol
1,2-didocosahexaenoyl-sn-glycerol
More...

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

LMGL02010306 [DBID]
  • Miscellaneous

    • Chemical Class:

      A 1,2-diacyl-sn-glycerol in which both the acyl groups are specified as (4<stereo>Z</stereo>,7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<stereo>Z</stereo>,16<stereo>Z</stereo>,19<stereo>Z</stereo>)-do cosahexaenoyl. ChEBI CHEBI:82925
      A 1,2-diacyl-sn-glycerol in which both the acyl groups are specified as (4Z,7Z,10Z,13Z,16Z,19Z)-do; cosahexaenoyl. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82925
      A 1,2-diacyl-sn-glycerol in which both the acyl groups are specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl. ChEBI CHEBI:82925

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

Density: 1.0±0.1 g/cm3
Boiling Point: 741.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.4±6.0 kJ/mol
Flash Point: 202.1±26.4 °C
Index of Refraction: 1.528
Molar Refractivity: 225.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 13.59
ACD/LogD (pH 5.5): 11.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.4±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 732.6±3.0 cm3

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