Found 1 result

Search term: 113376419 (Found by CSID)
ChemSpider 2D Image | O-{Hydroxy[(2R)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-2-(nonadecanoyloxy)propoxy]phosphoryl}-L-serine | C45H80NO10P

O-{Hydroxy[(2R)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-2-(nonadecanoyloxy)propoxy]phosphoryl}-L-serine

  • Molecular FormulaC45H80NO10P
  • Average mass826.091 Da
  • Monoisotopic mass825.552002 Da
  • ChemSpider ID113376419

  • 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

5,8,11,14-Eicosatetraenoic acid, (2R)-3-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[(1-oxononadecyl)oxy]propyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
O-{Hydroxy[(2R)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-2-(nonadecanoyloxy)propoxy]phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{Hydroxy[(2R)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-2-(nonadecanoyloxy)propoxy]phosphoryl}-L-serine [ACD/IUPAC Name]
O-{Hydroxy[(2R)-3-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-2-(nonadecanoyloxy)propoxy]phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-nonadecanoyl-glycero-3-phosphoserine
PS(19:0_20:4)
PS(20:4(5Z,8Z,11Z,14Z)/19:0)
PS(39:4)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 840.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 132.6±6.0 kJ/mol
Flash Point: 461.9±37.1 °C
Index of Refraction: 1.500
Molar Refractivity: 231.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 15.45
ACD/LogD (pH 5.5): 8.97
ACD/BCF (pH 5.5): 559528.56
ACD/KOC (pH 5.5): 45801.29
ACD/LogD (pH 7.4): 8.86
ACD/BCF (pH 7.4): 438462.06
ACD/KOC (pH 7.4): 35891.16
Polar Surface Area: 181 Å2
Polarizability: 91.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 786.2±3.0 cm3

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