ChemSpider 2D Image | (15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18lambda~5~-phosphahenicosan-15-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C37H68NO8P

(15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC37H68NO8P
  • Average mass685.911 Da
  • Monoisotopic mass685.468262 Da
  • ChemSpider ID113375427

  • 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

(15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
(15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-8,11,14-Icosatriénoate de (15R)-21-amino-18-hydroxy-12-oxo-18-oxydo-13,17,19-trioxa-18λ5-phosphahénicosan-15-yle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxododecyl)oxy]methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
1-dodecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphoethanolamine
PE(12:0/20:3(8Z,11Z,14Z))
PE(12:0_20:3)
PE(32:3)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 722.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 390.6±35.7 °C
Index of Refraction: 1.490
Molar Refractivity: 192.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 11.99
ACD/LogD (pH 5.5): 7.87
ACD/BCF (pH 5.5): 141415.80
ACD/KOC (pH 5.5): 32914.98
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 113929.29
ACD/KOC (pH 7.4): 26517.41
Polar Surface Area: 144 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 665.5±3.0 cm3

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