ChemSpider 2D Image | (2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C41H73O8P

(2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC41H73O8P
  • Average mass724.987 Da
  • Monoisotopic mass724.504333 Da
  • ChemSpider ID74876611

  • 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-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (2R)-1-(palmitoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (1R)-2-[(1-oxohexadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(hexadecanoyloxy)propoxyphosphonic acid
[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(hexadecanoyloxy)propoxy]phosphonic acid
1-hexadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphate
PA(16:0/22:4(7Z,10Z,13Z,16Z))
PA(16:0_22:4)
PA(38:4)

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: 760.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 413.7±35.7 °C
Index of Refraction: 1.494
Molar Refractivity: 207.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 14.46
ACD/LogD (pH 5.5): 9.08
ACD/BCF (pH 5.5): 734348.06
ACD/KOC (pH 5.5): 60714.15
ACD/LogD (pH 7.4): 8.15
ACD/BCF (pH 7.4): 86404.59
ACD/KOC (pH 7.4): 7143.73
Polar Surface Area: 129 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 712.6±3.0 cm3

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