Found 1 result

Search term: 74849978 (Found by CSID)
ChemSpider 2D Image | 6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphanonacosan-9-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C46H82NO8P

6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosan-9-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC46H82NO8P
  • Average mass808.119 Da
  • Monoisotopic mass807.577820 Da
  • ChemSpider ID74849978

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de 6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosan-9-yle [French] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosan-9-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosan-9-yl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
{2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(octadecanoyloxy)propoxy}[2-(methylamino)ethoxy]phosphinic acid
2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(octadecanoyloxy)propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(18:0/22:5(4Z,7Z,10Z,13Z,16Z))

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: 794.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.5±6.0 kJ/mol
Flash Point: 434.0±35.7 °C
Index of Refraction: 1.493
Molar Refractivity: 234.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.31
ACD/LogD (pH 5.5): 10.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1290996.88
ACD/LogD (pH 7.4): 10.79
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1262009.88
Polar Surface Area: 130 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 806.5±3.0 cm3

Click to predict properties on the Chemicalize site


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