ChemSpider 2D Image | (21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate | C43H80NO7P

(21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC43H80NO7P
  • Average mass754.072 Da
  • Monoisotopic mass753.567261 Da
  • ChemSpider ID59695371

  • 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

(21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl-(5E,8E,11E,14E)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5E,8E,11E,14E)-5,8,11,14-Icosatétraénoate de (21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(octadecyloxy)methyl]ethyl ester, (5E,8E,11E,14E)- [ACD/Index Name]
1-alkyl-2-acylglycerol 3 phosphoethanolamine(18:0/20:4)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 765.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 121.2±6.0 kJ/mol
Flash Point: 416.6±35.7 °C
Index of Refraction: 1.491
Molar Refractivity: 220.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 15.12
ACD/LogD (pH 5.5): 10.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 541052.19
ACD/LogD (pH 7.4): 10.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 436886.81
Polar Surface Area: 127 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 761.1±3.0 cm3

Click to predict properties on the Chemicalize site


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