Found 1 result

Search term: 74876814 (Found by CSID)
ChemSpider 2D Image | (2R)-2-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-(phosphonooxy)propyl icosanoate | C41H75O8P

(2R)-2-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-(phosphonooxy)propyl icosanoate

  • Molecular FormulaC41H75O8P
  • Average mass727.003 Da
  • Monoisotopic mass726.519958 Da
  • ChemSpider ID74876814

  • 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-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-(phosphonooxy)propyl icosanoate [ACD/IUPAC Name]
(2R)-2-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-(phosphonooxy)propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (2R)-2-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]-3-(phosphonooxy)propyl ester [ACD/Index Name]
Icosanoate de (2R)-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-(icosanoyloxy)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxyphosphonic acid
[(2R)-3-(icosanoyloxy)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphonic acid
1-eicosanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphate
PA(18:3_20:0)
PA(20:0/18:3(6Z,9Z,12Z))
PA(38:3)

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: 760.7±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: 413.9±35.7 °C
Index of Refraction: 1.489
Molar Refractivity: 207.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 15.21
ACD/LogD (pH 5.5): 9.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 118206.38
ACD/LogD (pH 7.4): 8.69
ACD/BCF (pH 7.4): 219182.08
ACD/KOC (pH 7.4): 13908.67
Polar Surface Area: 129 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 719.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement