ChemSpider 2D Image | PS(20:3(8Z,11Z,14Z)/16:1(9Z)) | C42H74NO10P

PS(20:3(8Z,11Z,14Z)/16:1(9Z))

  • Molecular FormulaC42H74NO10P
  • Average mass784.011 Da
  • Monoisotopic mass783.505005 Da
  • ChemSpider ID35032508
  • 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-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
O-[{(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
PS(20:3(8Z,11Z,14Z)/16:1(9Z))
(2S)-2-amino-3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
1-(8Z,11Z,14Z-eicosatrienoyl)-2-(9Z-hexadecenoyl)-glycero-3-phosphoserine
1-Homo-g-linolenoyl-2-palmitoleoyl-sn-glycero-3-phosphoserine
1-Homo-γ-linolenoyl-2-palmitoleoyl-sn-glycero-3-phosphoserine
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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: 815.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±6.0 kJ/mol
Flash Point: 447.1±37.1 °C
Index of Refraction: 1.502
Molar Refractivity: 217.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 13.90
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 9732.50
ACD/KOC (pH 5.5): 2519.86
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 7626.81
ACD/KOC (pH 7.4): 1974.67
Polar Surface Area: 181 Å2
Polarizability: 86.2±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 736.7±3.0 cm3

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