ChemSpider 2D Image | (18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambda~5~-phosphatetracosan-18-yl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate | C40H72NO8P

(18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphatetracosan-18-yl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC40H72NO8P
  • Average mass725.975 Da
  • Monoisotopic mass725.499573 Da
  • ChemSpider ID59698545

  • 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

(18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphatetracosan-18-yl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphatetracosan-18-yl-(5E,8E,11E,14E)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5E,8E,11E,14E)-5,8,11,14-Icosatétraénoate de (18R)-24-amino-21-hydroxy-15-oxo-21-oxydo-16,20,22-trioxa-21λ5-phosphatétracosan-18-yle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (5E,8E,11E,14E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(icosa-5,8,11,14-tetraenoyloxy)-3-(pentadecanoyloxy)propoxy]phosphinic acid
PE(15:0/20:4(5Z,8Z,11Z,14Z))

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

Density: 1.0±0.1 g/cm3
Boiling Point: 749.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 407.0±35.7 °C
Index of Refraction: 1.495
Molar Refractivity: 206.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 13.02
ACD/LogD (pH 5.5): 8.51
ACD/BCF (pH 5.5): 437206.88
ACD/KOC (pH 5.5): 73835.65
ACD/LogD (pH 7.4): 8.42
ACD/BCF (pH 7.4): 352213.00
ACD/KOC (pH 7.4): 59481.86
Polar Surface Area: 144 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 708.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement