ChemSpider 2D Image | 6-Hydroxy-9-[(11Z)-11-octadecenoyloxy]-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 | C46H78NO8P

6-Hydroxy-9-[(11Z)-11-octadecenoyloxy]-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 FormulaC46H78NO8P
  • Average mass804.087 Da
  • Monoisotopic mass803.546509 Da
  • ChemSpider ID74850550

  • 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 6-hydroxy-9-[(11Z)-11-octadecenoyloxy]-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, 3-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
6-Hydroxy-9-[(11Z)-11-octadecenoyloxy]-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]
6-Hydroxy-9-[(11Z)-11-octadecenoyloxy]-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]
{3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy(2-(methylamino)ethoxy)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: 793.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.4±6.0 kJ/mol
Flash Point: 433.5±35.7 °C
Index of Refraction: 1.503
Molar Refractivity: 234.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.11
ACD/LogD (pH 5.5): 8.50
ACD/BCF (pH 5.5): 429683.50
ACD/KOC (pH 5.5): 72981.63
ACD/LogD (pH 7.4): 8.49
ACD/BCF (pH 7.4): 420038.06
ACD/KOC (pH 7.4): 71343.35
Polar Surface Area: 130 Å2
Polarizability: 93.0±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 793.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement