ChemSpider 2D Image | (2R)-1-[(9Z)-9-Octadecenoyloxy]-3-(phosphonooxy)-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C41H73O8P

(2R)-1-[(9Z)-9-Octadecenoyloxy]-3-(phosphonooxy)-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC41H73O8P
  • Average mass724.987 Da
  • Monoisotopic mass724.504333 Da
  • ChemSpider ID74877257

  • 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-[(9Z)-9-Octadecenoyloxy]-3-(phosphonooxy)-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
(2R)-1-[(9Z)-9-Octadecenoyloxy]-3-(phosphonooxy)-2-propanyl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-8,11,14-Icosatriénoate de (2R)-1-[(9Z)-9-octadecenoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, (1R)-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxyphosphonic acid
[(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphonic acid
1-(9Z-octadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphate
PA(18:1(9Z)/20:3(8Z,11Z,14Z))
PA(18:1_20:3)
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: 14.63
ACD/LogD (pH 5.5): 8.64
ACD/BCF (pH 5.5): 335279.75
ACD/KOC (pH 5.5): 34639.55
ACD/LogD (pH 7.4): 7.71
ACD/BCF (pH 7.4): 39449.26
ACD/KOC (pH 7.4): 4075.71
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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