ChemSpider 2D Image | (18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambda~5~-phosphatetracosan-18-yl (13E,16E)-13,16-docosadienoate | C42H80NO8P

(18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphatetracosan-18-yl (13E,16E)-13,16-docosadienoate

  • Molecular FormulaC42H80NO8P
  • Average mass758.060 Da
  • Monoisotopic mass757.562134 Da
  • ChemSpider ID59698549

  • 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

(13E,16E)-13,16-Docosadiénoate de (18R)-24-amino-21-hydroxy-15-oxo-21-oxydo-16,20,22-trioxa-21λ5-phosphatétracosan-18-yle [French] [ACD/IUPAC Name]
(18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphatetracosan-18-yl (13E,16E)-13,16-docosadienoate [ACD/IUPAC Name]
(18R)-24-Amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21λ5-phosphatetracosan-18-yl-(13E,16E)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (13E,16E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(docosa-13,16-dienoyloxy)-3-(pentadecanoyloxy)propoxy]phosphinic acid
PE(15:0/22:2(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: 768.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 121.6±6.0 kJ/mol
Flash Point: 418.4±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 215.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 15.32
ACD/LogD (pH 5.5): 10.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1076755.00
ACD/LogD (pH 7.4): 10.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 867471.69
Polar Surface Area: 144 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 754.4±3.0 cm3

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