ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxy-5,8,11,14,16-icosapentaenoate | C45H80NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxy-5,8,11,14,16-icosapentaenoate

  • Molecular FormulaC45H80NO9P
  • Average mass810.092 Da
  • Monoisotopic mass809.557068 Da
  • ChemSpider ID117218130

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxy-5,8,11,14,16-icosapentaenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl-(5Z,8Z,11Z,14Z,16E,18S)-18-hydroxy-5,8,11,14,16-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,16E,18S)-18-Hydroxy-5,8,11,14,16-icosapentaénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14,16-Eicosapentaenoic acid, 18-hydroxy-, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxoeicosyl)oxy]propyl ester, (5Z,8Z,11Z,14Z,16E,18S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 822.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.0±6.0 kJ/mol
Flash Point: 451.1±37.1 °C
Index of Refraction: 1.503
Molar Refractivity: 231.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 13.31
ACD/LogD (pH 5.5): 8.76
ACD/BCF (pH 5.5): 676339.75
ACD/KOC (pH 5.5): 100900.41
ACD/LogD (pH 7.4): 8.67
ACD/BCF (pH 7.4): 544872.94
ACD/KOC (pH 7.4): 81287.40
Polar Surface Area: 164 Å2
Polarizability: 91.7±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 782.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement