Found 1 result

Search term: 74876066 (Found by CSID)
ChemSpider 2D Image | O-(Hydroxy{(2R)-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}phosphoryl)-L-serine | C44H74NO10P

O-(Hydroxy{(2R)-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}phosphoryl)-L-serine

  • Molecular FormulaC44H74NO10P
  • Average mass808.033 Da
  • Monoisotopic mass807.505005 Da
  • ChemSpider ID74876066

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8,11,14-Eicosatrienoic acid, (2R)-3-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]propyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
O-(Hydroxy{(2R)-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}phosphoryl)-L-serin [German] [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}phosphoryl)-L-serine [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}phosphoryl)-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({hydroxy[(2R)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[hydroxy((2R)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy)phosphoryl]oxy}propanoic acid
1-(8Z,11Z,14Z-eicosatrienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphoserine
PS(18:3_20:3)
PS(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
PS(38:6)

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: 1.1±0.1 g/cm3
Boiling Point: 831.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 131.3±6.0 kJ/mol
Flash Point: 456.8±37.1 °C
Index of Refraction: 1.511
Molar Refractivity: 226.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 13.83
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 7771.59
ACD/KOC (pH 5.5): 2145.03
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 6090.03
ACD/KOC (pH 7.4): 1680.90
Polar Surface Area: 181 Å2
Polarizability: 89.9±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 756.9±3.0 cm3

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