ChemSpider 2D Image | O-[{(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C46H82NO10P

O-[{(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC46H82NO10P
  • Average mass840.118 Da
  • Monoisotopic mass839.567627 Da
  • ChemSpider ID74876212

  • 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

13,16-Docosadienoic acid, (2R)-3-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl ester, (13Z,16Z)- [ACD/Index Name]
O-[{(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
1-(13Z,16Z-docosadienoyl)-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoserine
PS(18:2_22:2)
PS(22:2(13Z,16Z)/18:2(9Z,12Z))
PS(40:4)

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: 848.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 133.8±6.0 kJ/mol
Flash Point: 466.8±37.1 °C
Index of Refraction: 1.499
Molar Refractivity: 235.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 16.18
ACD/LogD (pH 5.5): 8.28
ACD/BCF (pH 5.5): 166294.22
ACD/KOC (pH 5.5): 19217.47
ACD/LogD (pH 7.4): 8.17
ACD/BCF (pH 7.4): 130315.46
ACD/KOC (pH 7.4): 15059.65
Polar Surface Area: 181 Å2
Polarizability: 93.5±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 802.7±3.0 cm3

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