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Search term: 74877256 (Found by CSID)
ChemSpider 2D Image | (2R)-1-[(9Z)-9-Octadecenoyloxy]-3-(phosphonooxy)-2-propanyl (11Z,14Z)-11,14-icosadienoate | C41H75O8P

(2R)-1-[(9Z)-9-Octadecenoyloxy]-3-(phosphonooxy)-2-propanyl (11Z,14Z)-11,14-icosadienoate

  • Molecular FormulaC41H75O8P
  • Average mass727.003 Da
  • Monoisotopic mass726.519958 Da
  • ChemSpider ID74877256

  • 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

(11Z,14Z)-11,14-Icosadiénoate de (2R)-1-[(9Z)-9-octadecenoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-[(9Z)-9-Octadecenoyloxy]-3-(phosphonooxy)-2-propanyl (11Z,14Z)-11,14-icosadienoate [ACD/IUPAC Name]
(2R)-1-[(9Z)-9-Octadecenoyloxy]-3-(phosphonooxy)-2-propanyl-(11Z,14Z)-11,14-icosadienoat [German] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, (1R)-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester, (11Z,14Z)- [ACD/Index Name]
(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxyphosphonic acid
[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphonic acid
1-(9Z-octadecenoyl)-2-(11Z,14Z-eicosadienoyl)-glycero-3-phosphate
PA(18:1(9Z)/20:2(11Z,14Z))
PA(18:1_20:2)
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: 15.31
ACD/LogD (pH 5.5): 9.17
ACD/BCF (pH 5.5): 857778.88
ACD/KOC (pH 5.5): 67856.97
ACD/LogD (pH 7.4): 8.24
ACD/BCF (pH 7.4): 100926.33
ACD/KOC (pH 7.4): 7984.06
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

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