Found 2 results

Search term: GKCIYEJHTDLHLE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (9E,17E,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24lambda~5~-phosphaheptacosa-9,17-dien-21-yl docosanoate | C45H88NO7P

(9E,17E,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-9,17-dien-21-yl docosanoate

  • Molecular FormulaC45H88NO7P
  • Average mass786.156 Da
  • Monoisotopic mass785.629822 Da
  • ChemSpider ID59699819

  • 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

(9E,17E,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-9,17-dien-21-yl docosanoate [ACD/IUPAC Name]
(9E,17E,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-9,17-dien-21-yl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (9E,17E,21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosa-9,17-dién-21-yle [French] [ACD/IUPAC Name]
Docosanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1E,9E)-1,9-octadecadien-1-yloxy]methyl]ethyl ester [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(docosanoyloxy)-3-(octadeca-1,9-dien-1-yloxy)propoxy]phosphinic acid
PE(P-18:1(9Z)/22:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 788.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 124.7±6.0 kJ/mol
Flash Point: 430.7±35.7 °C
Index of Refraction: 1.481
Molar Refractivity: 229.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 18.01
ACD/LogD (pH 5.5): 12.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 127 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 806.8±3.0 cm3

Click to predict properties on the Chemicalize site


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