ChemSpider 2D Image | (19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C41H74NO7P

(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC41H74NO7P
  • Average mass724.003 Da
  • Monoisotopic mass723.520264 Da
  • ChemSpider ID113375973

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de (19R)-25-amino-22-hydroxy-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(hexadecyloxy)methyl]ethyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
1-hexadecyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphoethanolamine
PE(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE(O-16:0/20:5)
PE(O-36:5)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 746.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 118.5±6.0 kJ/mol
Flash Point: 405.4±35.7 °C
Index of Refraction: 1.497
Molar Refractivity: 211.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 13.38
ACD/LogD (pH 5.5): 8.70
ACD/BCF (pH 5.5): 600985.38
ACD/KOC (pH 5.5): 92720.74
ACD/LogD (pH 7.4): 8.60
ACD/BCF (pH 7.4): 485281.44
ACD/KOC (pH 7.4): 74869.80
Polar Surface Area: 127 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 721.7±3.0 cm3

Click to predict properties on the Chemicalize site


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