Found 1 result

Search term: C47H80NO7P (Found by molecular formula)
ChemSpider 2D Image | (16Z,19E)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26lambda~5~-phosphanonacosa-16,19-dien-23-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C47H80NO7P

(16Z,19E)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosa-16,19-dien-23-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC47H80NO7P
  • Average mass802.114 Da
  • Monoisotopic mass801.567261 Da
  • ChemSpider ID24608468

  • Double-bond stereo - Double-bond stereo

More details:

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

(16Z,19E)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosa-16,19-dien-23-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(16Z,19E)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosa-16,19-dien-23-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 (16Z,19E)-29-amino-26-hydroxy-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacosa-16,19-dién-23-yle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, 2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1E,4Z)-1,4-eicosadien-1-yloxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
Phosphatidylethanolamine alkenyl 20:1-22:6

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

Density: 1.0±0.1 g/cm3
Boiling Point: 800.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 126.5±6.0 kJ/mol
Flash Point: 438.0±37.1 °C
Index of Refraction: 1.509
Molar Refractivity: 239.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 15.61
ACD/LogD (pH 5.5): 9.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 448880.38
ACD/LogD (pH 7.4): 9.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 362264.09
Polar Surface Area: 127 Å2
Polarizability: 94.8±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 801.5±3.0 cm3

Click to predict properties on the Chemicalize site


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