ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C45H82NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC45H82NO8P
  • Average mass796.108 Da
  • Monoisotopic mass795.577820 Da
  • ChemSpider ID24769029

  • 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-(stearoyloxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxooctadecyl)oxy]propyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-(octadecanoyloxy)propoxy]phosphinic acid
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-octadecanoyl-glycero-3-phosphoethanolamine
1-Adrenoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-(octadecanoyloxy)propoxyphosphinic acid
GPEtn(22:4/18:0)
GPEtn(22:4n6/18:0)
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: 793.6±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: 433.7±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 229.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.56
ACD/LogD (pH 5.5): 10.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1005518.13
ACD/LogD (pH 7.4): 10.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 810078.13
Polar Surface Area: 144 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 791.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement