ChemSpider 2D Image | (16Z,19Z,22Z,25Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphahentriaconta-16,19,22,25-tetraen-9-yl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C49H80NO8P

(16Z,19Z,22Z,25Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriaconta-16,19,22,25-tetraen-9-yl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC49H80NO8P
  • Average mass842.135 Da
  • Monoisotopic mass841.562134 Da
  • ChemSpider ID74851135

  • Double-bond stereo - Double-bond stereo

More details:

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

(16Z,19Z,22Z,25Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriaconta-16,19,22,25-tetraen-9-yl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(16Z,19Z,22Z,25Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriaconta-16,19,22,25-tetraen-9-yl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate de (16Z,19Z,22Z,25Z)-6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphahéntriaconta-16,19,22,25-tétraén-9-yle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
[2-(dimethylamino)ethoxy]({2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-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: 810.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 444.2±37.1 °C
Index of Refraction: 1.512
Molar Refractivity: 248.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.39
ACD/LogD (pH 5.5): 8.75
ACD/BCF (pH 5.5): 655470.44
ACD/KOC (pH 5.5): 98723.28
ACD/LogD (pH 7.4): 8.72
ACD/BCF (pH 7.4): 611939.31
ACD/KOC (pH 7.4): 92166.87
Polar Surface Area: 121 Å2
Polarizability: 98.6±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 828.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement