ChemSpider 2D Image | (6E,9E,12E,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosa-6,9,12-trien-21-yl (7E,10E,13E,16E)-7,10,13,16-docosatetraenoate | C45H76NO8P

(6E,9E,12E,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9,12-trien-21-yl (7E,10E,13E,16E)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC45H76NO8P
  • Average mass790.061 Da
  • Monoisotopic mass789.530884 Da
  • ChemSpider ID59698721

  • 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

(6E,9E,12E,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9,12-trien-21-yl (7E,10E,13E,16E)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(6E,9E,12E,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9,12-trien-21-yl-(7E,10E,13E,16E)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7E,10E,13E,16E)-7,10,13,16-Docosatétraénoate de (6E,9E,12E,21R)-27-amino-24-hydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9,12-trién-21-yle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(6E,9E,12E)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]methyl]ethyl ester, (7E,10E,13E,16E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(docosa-7,10,13,16-tetraenoyloxy)-3-(octadeca-6,9,12-trienoyloxy)propoxy]phosphinic acid
PE(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 792.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.3±6.0 kJ/mol
Flash Point: 433.0±35.7 °C
Index of Refraction: 1.507
Molar Refractivity: 229.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 13.91
ACD/LogD (pH 5.5): 8.23
ACD/BCF (pH 5.5): 267604.91
ACD/KOC (pH 5.5): 51959.49
ACD/LogD (pH 7.4): 8.14
ACD/BCF (pH 7.4): 215589.31
ACD/KOC (pH 7.4): 41859.89
Polar Surface Area: 144 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 772.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement