ChemSpider 2D Image | (18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambda~5~-phosphatetracosan-18-yl (4E,7E,10E,13E,16Z)-4,7,10,13,16-docosapentaenoate | C42H74NO8P

(18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphatetracosan-18-yl (4E,7E,10E,13E,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC42H74NO8P
  • Average mass752.013 Da
  • Monoisotopic mass751.515198 Da
  • ChemSpider ID59698550

  • 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

(18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphatetracosan-18-yl (4E,7E,10E,13E,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
(18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphatetracosan-18-yl-(4E,7E,10E,13E,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
(4E,7E,10E,13E,16Z)-4,7,10,13,16-Docosapentaénoate de (18R)-24-amino-21-hydroxy-15-oxo-21-oxydo-16,20,22-trioxa-21λ5-phosphatétracosan-18-yle [French] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (4E,7E,10E,13E,16Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(docosa-4,7,10,13,16-pentaenoyloxy)-3-(pentadecanoyloxy)propoxy]phosphinic acid
PE(15:0/22:5(4Z,7Z,10Z,13Z,16Z))

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

Density: 1.0±0.1 g/cm3
Boiling Point: 766.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 121.5±6.0 kJ/mol
Flash Point: 417.6±35.7 °C
Index of Refraction: 1.499
Molar Refractivity: 215.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.48
ACD/LogD (pH 5.5): 8.88
ACD/BCF (pH 5.5): 824116.19
ACD/KOC (pH 5.5): 116231.50
ACD/LogD (pH 7.4): 8.78
ACD/BCF (pH 7.4): 663860.44
ACD/KOC (pH 7.4): 93629.39
Polar Surface Area: 144 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 735.3±3.0 cm3

Click to predict properties on the Chemicalize site


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