Found 1 result

Search term: 74877295 (Found by CSID)
ChemSpider 2D Image | (2R)-1-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-(phosphonooxy)-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C45H73O8P

(2R)-1-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-(phosphonooxy)-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC45H73O8P
  • Average mass773.030 Da
  • Monoisotopic mass772.504333 Da
  • ChemSpider ID74877295

  • 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)-1-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-(phosphonooxy)-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(2R)-1-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-(phosphonooxy)-2-propanyl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (2R)-1-[(11Z,14Z)-11,14-icosadienoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (1R)-2-[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propoxyphosphonic acid
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propoxy]phosphonic acid
1-(11Z,14Z-eicosadienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phosphate
PA(20:2_22:6)
PA(42:8)

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 794.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.5±6.0 kJ/mol
Flash Point: 434.0±35.7 °C
Index of Refraction: 1.513
Molar Refractivity: 226.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 14.39
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 64502.21
ACD/KOC (pH 5.5): 10642.74
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 7591.19
ACD/KOC (pH 7.4): 1252.53
Polar Surface Area: 129 Å2
Polarizability: 89.7±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 753.1±3.0 cm3

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