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Search term: 74878438 (Found by CSID)
ChemSpider 2D Image | O-(Hydroxy{(2R)-2-[(11Z)-11-icosenoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propoxy}phosphoryl)-L-serine | C44H76NO10P

O-(Hydroxy{(2R)-2-[(11Z)-11-icosenoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propoxy}phosphoryl)-L-serine

  • Molecular FormulaC44H76NO10P
  • Average mass810.049 Da
  • Monoisotopic mass809.520691 Da
  • ChemSpider ID74878438

  • 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

11-Eicosenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]
O-(Hydroxy{(2R)-2-[(11Z)-11-icosenoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propoxy}phosphoryl)-L-serin [German] [ACD/IUPAC Name]
O-(Hydroxy{(2R)-2-[(11Z)-11-icosenoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propoxy}phosphoryl)-L-serine [ACD/IUPAC Name]
O-(Hydroxy{(2R)-2-[(11Z)-11-icosenoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propoxy}phosphoryl)-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({hydroxy[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[hydroxy((2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy)phosphoryl]oxy}propanoic acid
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(11Z-eicosenoyl)-glycero-3-phosphoserine
PS(18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
PS(18:4_20:1)
PS(38:5)

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: 831.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 131.3±6.0 kJ/mol
Flash Point: 456.9±37.1 °C
Index of Refraction: 1.506
Molar Refractivity: 226.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 14.35
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 12820.70
ACD/KOC (pH 5.5): 3069.35
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 10046.82
ACD/KOC (pH 7.4): 2405.27
Polar Surface Area: 181 Å2
Polarizability: 89.9±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 763.3±3.0 cm3

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