ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C45H78NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC45H78NO7P
  • Average mass776.077 Da
  • Monoisotopic mass775.551575 Da
  • ChemSpider ID24769088

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z,11Z)-1,11-octadécadién-1-yloxy]propyle [French] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]propoxy]phosphinic acid
1-Docosapentaenoyl-2-(1-enyl-vaccenoyl)-sn-glycero-3-phosphoethanolamine
1-Osbondoyl-2-(1-enyl-vaccenoyl)-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]propoxyphosphinic acid
GPEtn(22:5/18:1)
GPEtn(22:5n6/18:1n7)
More...

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: 787.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 124.5±6.0 kJ/mol
Flash Point: 429.9±35.7 °C
Index of Refraction: 1.505
Molar Refractivity: 229.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 15.07
ACD/LogD (pH 5.5): 9.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 137875.55
ACD/LogD (pH 7.4): 8.92
ACD/BCF (pH 7.4): 846959.50
ACD/KOC (pH 7.4): 111625.97
Polar Surface Area: 127 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 774.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement