Found 1 result

Search term: C48H84NO9P (Found by molecular formula)
ChemSpider 2D Image | O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine | C48H84NO9P

O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine

  • Molecular FormulaC48H84NO9P
  • Average mass850.156 Da
  • Monoisotopic mass849.588379 Da
  • ChemSpider ID113376658

  • 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

4,7,10,13,16,19-Docosahexaenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[(eicosyloxy)methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine [ACD/IUPAC Name]
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
1-eicosyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phosphoserine
PS(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS(O-20:0/22:6)
PS(O-42:6)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 853.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 134.6±6.0 kJ/mol
Flash Point: 469.7±37.1 °C
Index of Refraction: 1.506
Molar Refractivity: 245.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 16.26
ACD/LogD (pH 5.5): 8.85
ACD/BCF (pH 5.5): 449264.47
ACD/KOC (pH 5.5): 39143.18
ACD/LogD (pH 7.4): 8.74
ACD/BCF (pH 7.4): 353046.19
ACD/KOC (pH 7.4): 30759.95
Polar Surface Area: 164 Å2
Polarizability: 97.2±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 825.8±3.0 cm3

Click to predict properties on the Chemicalize site


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