ChemSpider 2D Image | 1-Octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine | C46H78NO10P

1-Octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine

  • Molecular FormulaC46H78NO10P
  • Average mass836.086 Da
  • Monoisotopic mass835.536316 Da
  • ChemSpider ID24768058

  • 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

1-Octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine
4,7,10,13,16,19-Docosahexaenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serine [ACD/IUPAC Name]
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid
1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine
1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphoserine
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A 3-<ital>sn</ital>-phosphatidyl-<stereo>L</stereo>-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as octadecanoyl and (4<stereo>Z</stereo>,7<stereo>Z</stereo>,10<ster eo>Z</stereo>,13<stereo>Z</stereo>,16<stereo>Z</stereo>,19<stereo>Z</stereo>)-docosahexaenoyl respectively. ChEBI CHEBI:79098
      A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as octadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:79098, CHEBI:79098

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 847.8±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: 466.6±37.1 °C
Index of Refraction: 1.509
Molar Refractivity: 236.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.69
ACD/LogD (pH 5.5): 7.99
ACD/BCF (pH 5.5): 99790.07
ACD/KOC (pH 5.5): 13333.38
ACD/LogD (pH 7.4): 7.88
ACD/BCF (pH 7.4): 78188.64
ACD/KOC (pH 7.4): 10447.12
Polar Surface Area: 181 Å2
Polarizability: 93.5±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 789.9±3.0 cm3

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