ChemSpider 2D Image | (15E,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22lambda~5~-phosphapentacos-15-en-19-yl (7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoate | C43H76NO7P

(15E,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl (7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC43H76NO7P
  • Average mass750.040 Da
  • Monoisotopic mass749.535950 Da
  • ChemSpider ID59699740

  • 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

(15E,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl (7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(15E,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl-(7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaénoate de (15E,19R)-25-amino-22-hydroxy-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacos-15-én-19-yle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1E)-1-hexadecen-1-yloxy]methyl]ethyl ester, (7E,10E,13E,16E,19E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(docosa-7,10,13,16,19-pentaenoyloxy)-3-(hexadec-1-en-1-yloxy)propoxy]phosphinic acid
PE(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z))

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

Density: 1.0±0.1 g/cm3
Boiling Point: 766.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 121.4±6.0 kJ/mol
Flash Point: 417.4±35.7 °C
Index of Refraction: 1.501
Molar Refractivity: 220.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 14.39
ACD/LogD (pH 5.5): 9.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 152689.70
ACD/LogD (pH 7.4): 9.00
ACD/BCF (pH 7.4): 973881.94
ACD/KOC (pH 7.4): 123254.34
Polar Surface Area: 127 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 748.3±3.0 cm3

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