Found 1 result

Search term: SHXDKXMAWBFERN (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (15Z,18Z,21Z,24Z)-3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6lambda~5~-phosphahentriaconta-15,18,21,24-tetraen-9-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C49H76NO9P

(15Z,18Z,21Z,24Z)-3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphahentriaconta-15,18,21,24-tetraen-9-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC49H76NO9P
  • Average mass854.103 Da
  • Monoisotopic mass853.525757 Da
  • ChemSpider ID24608501
  • Double-bond stereo - Double-bond stereo


More details:






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

(15Z,18Z,21Z,24Z)-3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphahentriaconta-15,18,21,24-tetraen-9-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(15Z,18Z,21Z,24Z)-3-Amino-6-hydroxy-6-oxido-2,12-dioxo-5,7,11-trioxa-6λ5-phosphahentriaconta-15,18,21,24-tetraen-9-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 (15Z,18Z,21Z,24Z)-3-amino-6-hydroxy-2,12-dioxo-6-oxydo-5,7,11-trioxa-6λ5-phosphahéntriaconta-15,18,21,24-tétraén-9-yle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, 2-[[(2-amino-3-oxobutoxy)hydroxyphosphinyl]oxy]-1-[[[(4Z,7Z,10Z,13Z)-1-oxo-4,7,10,13-eicosatetraen-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
Phosphatidylserine 20:4-22:6

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

Density: 1.0±0.1 g/cm3
Boiling Point: 841.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 132.8±6.0 kJ/mol
Flash Point: 462.9±37.1 °C
Index of Refraction: 1.521
Molar Refractivity: 248.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 13.68
ACD/LogD (pH 5.5): 6.85
ACD/BCF (pH 5.5): 19143.26
ACD/KOC (pH 5.5): 6046.67
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 5103.80
ACD/KOC (pH 7.4): 1612.11
Polar Surface Area: 161 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 816.4±3.0 cm3

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