ChemSpider 2D Image | (23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26lambda~5~-phosphanonacosan-23-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C47H84NO7P

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

  • Molecular FormulaC47H84NO7P
  • Average mass806.146 Da
  • Monoisotopic mass805.598511 Da
  • ChemSpider ID113375967

  • 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

(23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosan-23-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosan-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 (23R)-29-amino-26-hydroxy-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacosan-23-yle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(eicosyloxy)methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
1-eicosyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phosphoethanolamine
PE(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(O-20:0/22:6)
PE(O-42:6)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 799.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 126.3±6.0 kJ/mol
Flash Point: 437.3±35.7 °C
Index of Refraction: 1.499
Molar Refractivity: 239.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.96
ACD/LogD (pH 5.5): 10.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1136496.75
ACD/LogD (pH 7.4): 10.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 917629.69
Polar Surface Area: 127 Å2
Polarizability: 94.8±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 814.3±3.0 cm3

Click to predict properties on the Chemicalize site


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