Found 1 result

Search term: 74877071 (Found by CSID)
ChemSpider 2D Image | (2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(phosphonooxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C43H73O8P

(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(phosphonooxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC43H73O8P
  • Average mass749.009 Da
  • Monoisotopic mass748.504333 Da
  • ChemSpider ID74877071

  • 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)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(phosphonooxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(phosphonooxy)propyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (2R)-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-3-(phosphonooxy)propyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphonic acid
[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphonic acid
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
PA(18:2_22:4)
PA(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
PA(40:6)

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: 777.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 423.9±35.7 °C
Index of Refraction: 1.503
Molar Refractivity: 216.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 14.49
ACD/LogD (pH 5.5): 8.05
ACD/BCF (pH 5.5): 119410.26
ACD/KOC (pH 5.5): 16543.85
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 14049.94
ACD/KOC (pH 7.4): 1946.57
Polar Surface Area: 129 Å2
Polarizability: 85.9±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 732.9±3.0 cm3

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