ChemSpider 2D Image | (21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl (11Z)-11-icosenoate | C43H86NO7P

(21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (11Z)-11-icosenoate

  • Molecular FormulaC43H86NO7P
  • Average mass760.119 Da
  • Monoisotopic mass759.614197 Da
  • ChemSpider ID113375933

  • 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

(11Z)-11-Icosénoate de (21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yle [French] [ACD/IUPAC Name]
(21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (11Z)-11-icosenoate [ACD/IUPAC Name]
(21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(octadecyloxy)methyl]ethyl ester, (11Z)- [ACD/Index Name]
1-octadecyl-2-(11Z-eicosenoyl)-glycero-3-phosphoethanolamine
PE(O-18:0/20:1(11Z))
PE(O-18:0/20:1)
PE(O-38:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 766.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 121.4±6.0 kJ/mol
Flash Point: 417.5±35.7 °C
Index of Refraction: 1.476
Molar Refractivity: 220.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 16.88
ACD/LogD (pH 5.5): 11.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4599990.50
ACD/LogD (pH 7.4): 11.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3714550.25
Polar Surface Area: 127 Å2
Polarizability: 87.3±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 780.2±3.0 cm3

Click to predict properties on the Chemicalize site


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