ChemSpider 2D Image | (25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28lambda~5~-phosphahentriacontan-25-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C49H86NO8P

(25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphahentriacontan-25-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC49H86NO8P
  • Average mass848.183 Da
  • Monoisotopic mass847.609131 Da
  • ChemSpider ID24768952

  • 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

(25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphahentriacontan-25-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphahentriacontan-25-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 (25R)-31-amino-28-hydroxy-22-oxo-28-oxydo-23,27,29-trioxa-28λ5-phosphahéntriacontan-25-yle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxodocosyl)oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(docosanoyloxy)propoxy]phosphinic acid
1-Behenoyl-2-docosahexaenoyl-sn-glycero-3-phosphoethanolamine
1-docosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phosphoethanolamine
2-aminoethoxy((2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(docosanoyloxy)propoxy)phosphinic acid
2-aminoethoxy(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(docosanoyloxy)propoxyphosphinic acid
GPEtn(22:0/22:6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 826.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.5±6.0 kJ/mol
Flash Point: 453.8±37.1 °C
Index of Refraction: 1.500
Molar Refractivity: 248.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 16.52
ACD/LogD (pH 5.5): 11.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1894160.25
ACD/LogD (pH 7.4): 11.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1525826.13
Polar Surface Area: 144 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 844.5±3.0 cm3

Click to predict properties on the Chemicalize site


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