Found 62 results

Search term: C46H80NO10P (Found by molecular formula)
ChemSpider 2D Image | O-(Hydroxy{(2R)-3-(icosanoyloxy)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propoxy}phosphoryl)-L-serine | C46H80NO10P

O-(Hydroxy{(2R)-3-(icosanoyloxy)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propoxy}phosphoryl)-L-serine

  • Molecular FormulaC46H80NO10P
  • Average mass838.102 Da
  • Monoisotopic mass837.552002 Da
  • ChemSpider ID74875973

  • 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

5,8,11,14,17-Eicosapentaenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxoeicosyl)oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
O-(Hydroxy{(2R)-3-(icosanoyloxy)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propoxy}phosphoryl)-L-serin [German] [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-(icosanoyloxy)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propoxy}phosphoryl)-L-serine [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-(icosanoyloxy)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propoxy}phosphoryl)-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-(icosanoyloxy)propoxy]phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[hydroxy((2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-(icosanoyloxy)propoxy)phosphoryl]oxy}propanoic acid
1-eicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphoserine
PS(20:0/20:5(5Z,8Z,11Z,14Z,17Z))
PS(20:0_20:5)
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: 15.30
ACD/LogD (pH 5.5): 8.84
ACD/BCF (pH 5.5): 444632.97
ACD/KOC (pH 5.5): 38853.22
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 348415.59
ACD/KOC (pH 7.4): 30445.48
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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