ChemSpider 2D Image | 9-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-6-hydroxy-2-methyl-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C51H82NO8P

9-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-6-hydroxy-2-methyl-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC51H82NO8P
  • Average mass868.172 Da
  • Monoisotopic mass867.577820 Da
  • ChemSpider ID74851385

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de 9-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]-6-hydroxy-2-méthyl-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, 3-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-2-[[(7Z,10Z,13Z,16Z)-1-oxo-7,10,13,16-docosatetraen-1-yl]oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
9-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-6-hydroxy-2-methyl-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
9-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-6-hydroxy-2-methyl-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
[2-(dimethylamino)ethoxy]({3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-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: 827.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.6±6.0 kJ/mol
Flash Point: 454.2±37.1 °C
Index of Refraction: 1.515
Molar Refractivity: 258.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 14.85
ACD/LogD (pH 5.5): 9.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 163660.17
ACD/LogD (pH 7.4): 9.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 152790.50
Polar Surface Area: 121 Å2
Polarizability: 102.3±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 855.5±3.0 cm3

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