Found 62 results

Search term: C46H80NO10P (Found by molecular formula)
ChemSpider 2D Image | O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C46H80NO10P

O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC46H80NO10P
  • Average mass838.102 Da
  • Monoisotopic mass837.552002 Da
  • ChemSpider ID74875905

  • 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, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphoserine
PS(18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
PS(18:3_22:2)
PS(40:5)

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: 848.0±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: 1.504
Molar Refractivity: 235.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 15.57
ACD/LogD (pH 5.5): 7.48
ACD/BCF (pH 5.5): 41479.78
ACD/KOC (pH 5.5): 7112.88
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 32505.27
ACD/KOC (pH 7.4): 5573.94
Polar Surface Area: 181 Å2
Polarizability: 93.5±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 796.3±3.0 cm3

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