Found 1 result

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

ChemSpider 2D Image | (19Z,22Z,25Z,28Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphahentriaconta-19,22,25,28-tetraen-9-yl (13Z,16Z)-13,16-docosadienoate | C49H86NO8P

(19Z,22Z,25Z,28Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriaconta-19,22,25,28-tetraen-9-yl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC49H86NO8P
  • Average mass848.183 Da
  • Monoisotopic mass847.609131 Da
  • ChemSpider ID74851161
  • Double-bond stereo - Double-bond stereo


More details:






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

(13Z,16Z)-13,16-Docosadiénoate de (19Z,22Z,25Z,28Z)-6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphahéntriaconta-19,22,25,28-tétraén-9-yle [French] [ACD/IUPAC Name]
(19Z,22Z,25Z,28Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriaconta-19,22,25,28-tetraen-9-yl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(19Z,22Z,25Z,28Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriaconta-19,22,25,28-tetraen-9-yl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[[(8Z,11Z,14Z,17Z)-1-oxo-8,11,14,17-eicosatetraen-1-yl]oxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
[2-(dimethylamino)ethoxy]({2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy)phosphinic acid

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: 812.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.3±6.0 kJ/mol
Flash Point: 445.1±37.1 °C
Index of Refraction: 1.498
Molar Refractivity: 248.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 16.31
ACD/LogD (pH 5.5): 9.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 452891.75
ACD/LogD (pH 7.4): 9.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 422816.16
Polar Surface Area: 121 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 848.0±3.0 cm3

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