ChemSpider 2D Image | (5E,17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20lambda~5~-phosphatricos-5-en-17-yl (4E,7E,10E,13E,16E)-4,7,10,13,16-docosapentaenoate | C41H70NO8P

(5E,17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatricos-5-en-17-yl (4E,7E,10E,13E,16E)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC41H70NO8P
  • Average mass735.970 Da
  • Monoisotopic mass735.483887 Da
  • ChemSpider ID59698529

  • 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

(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaénoate de (5E,17R)-23-amino-20-hydroxy-14-oxo-20-oxydo-15,19,21-trioxa-20λ5-phosphatricos-5-én-17-yle [French] [ACD/IUPAC Name]
(5E,17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatricos-5-en-17-yl (4E,7E,10E,13E,16E)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
(5E,17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatricos-5-en-17-yl-(4E,7E,10E,13E,16E)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(9E)-1-oxo-9-tetradecen-1-yl]oxy]methyl]ethyl ester, (4E,7E,10E,13E,16E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(docosa-4,7,10,13,16-pentaenoyloxy)-3-(tetradec-9-enoyloxy)propoxy]phosphinic acid
PE(14:1(9Z)/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: 757.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.1±6.0 kJ/mol
Flash Point: 412.0±35.7 °C
Index of Refraction: 1.505
Molar Refractivity: 211.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 12.43
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 21238.72
ACD/KOC (pH 5.5): 8472.95
ACD/LogD (pH 7.4): 6.69
ACD/BCF (pH 7.4): 17108.67
ACD/KOC (pH 7.4): 6825.32
Polar Surface Area: 144 Å2
Polarizability: 83.8±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 712.4±3.0 cm3

Click to predict properties on the Chemicalize site


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