ChemSpider 2D Image | (17E,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24lambda~5~-phosphaheptacos-17-en-21-yl (8E,11E,14E)-8,11,14-icosatrienoate | C43H80NO7P

(17E,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl (8E,11E,14E)-8,11,14-icosatrienoate

  • Molecular FormulaC43H80NO7P
  • Average mass754.072 Da
  • Monoisotopic mass753.567261 Da
  • ChemSpider ID59699759

  • 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

(17E,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl (8E,11E,14E)-8,11,14-icosatrienoate [ACD/IUPAC Name]
(17E,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl-(8E,11E,14E)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8E,11E,14E)-8,11,14-Icosatriénoate de (17E,21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacos-17-én-21-yle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1E)-1-octadecen-1-yloxy]methyl]ethyl ester, (8E,11E,14E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(icosa-8,11,14-trienoyloxy)-3-(octadec-1-en-1-yloxy)propoxy]phosphinic acid
PE(P-18:0/20:3(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: 767.5±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: 418.0±35.7 °C
Index of Refraction: 1.491
Molar Refractivity: 220.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 15.75
ACD/LogD (pH 5.5): 10.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 843701.75
ACD/LogD (pH 7.4): 10.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 681056.00
Polar Surface Area: 127 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 761.1±3.0 cm3

Click to predict properties on the Chemicalize site


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