ChemSpider 2D Image | (15E)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22lambda~5~-phosphapentacos-15-en-19-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C43H74NO7P

(15E)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC43H74NO7P
  • Average mass748.024 Da
  • Monoisotopic mass747.520264 Da
  • ChemSpider ID24608450

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(15E)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(15E)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (15E)-25-amino-22-hydroxy-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacos-15-én-19-yle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, 2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1E)-1-hexadecen-1-yloxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
139406-72-7 [RN]
Phosphatidylethanolamine alkenyl 16:0-22:6

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

Density: 1.0±0.1 g/cm3
Boiling Point: 766.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 121.3±6.0 kJ/mol
Flash Point: 417.1±35.7 °C
Index of Refraction: 1.506
Molar Refractivity: 220.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 13.90
ACD/LogD (pH 5.5): 8.75
ACD/BCF (pH 5.5): 658357.69
ACD/KOC (pH 5.5): 98973.66
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 531382.94
ACD/KOC (pH 7.4): 79885.02
Polar Surface Area: 127 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 741.9±3.0 cm3

Click to predict properties on the Chemicalize site


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