Found 57 results

Search term: MF = 'C_{44}H_{76}NO_{10}P'
ChemSpider 2D Image | O-(Hydroxy{(2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propoxy}phosphoryl)-L-serine | C44H76NO10P

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

  • Molecular FormulaC44H76NO10P
  • Average mass810.049 Da
  • Monoisotopic mass809.520691 Da
  • ChemSpider ID74875840

  • 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, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
O-(Hydroxy{(2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propoxy}phosphoryl)-L-serin [German] [ACD/IUPAC Name]
O-(Hydroxy{(2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propoxy}phosphoryl)-L-serine [ACD/IUPAC Name]
O-(Hydroxy{(2R)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propoxy}phosphoryl)-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[hydroxy((2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy)phosphoryl]oxy}propanoic acid
PS(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))

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: 14.40
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 9592.18
ACD/KOC (pH 5.5): 2493.80
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 7516.46
ACD/KOC (pH 7.4): 1954.15
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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