ChemSpider 2D Image | (19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C41H76NO7P

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

  • Molecular FormulaC41H76NO7P
  • Average mass726.018 Da
  • Monoisotopic mass725.535950 Da
  • ChemSpider ID24823070

  • 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)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (19R)-25-amino-22-hydroxy-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(hexadecyloxy)methyl]ethyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
1-hexadecyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
PE(O-16:0/20:4(5Z,8Z,11Z,14Z))
PE(O-16:0/20:4)
PE(O-36:4)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 747.2±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: 405.7±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 211.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 14.06
ACD/LogD (pH 5.5): 9.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 188164.23
ACD/LogD (pH 7.4): 9.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 151938.16
Polar Surface Area: 127 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 728.0±3.0 cm3

Click to predict properties on the Chemicalize site


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