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Search term: QTRKEVCYNOOTGW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Aminoethyl (2R)-2-hydroxy-3-{[(6Z)-2-methoxy-13-methyl-6-tetradecen-1-yl]oxy}propyl hydrogen phosphate | C21H44NO7P

2-Aminoethyl (2R)-2-hydroxy-3-{[(6Z)-2-methoxy-13-methyl-6-tetradecen-1-yl]oxy}propyl hydrogen phosphate

  • Molecular FormulaC21H44NO7P
  • Average mass453.550 Da
  • Monoisotopic mass453.285553 Da
  • ChemSpider ID113376046

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Aminoethyl (2R)-2-hydroxy-3-{[(6Z)-2-methoxy-13-methyl-6-tetradecen-1-yl]oxy}propyl hydrogen phosphate [ACD/IUPAC Name]
2-Aminoethyl-(2R)-2-hydroxy-3-{[(6Z)-2-methoxy-13-methyl-6-tetradecen-1-yl]oxy}propylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 2-aminoéthyle et de (2R)-2-hydroxy-3-{[(6Z)-2-méthoxy-13-méthyl-6-tétradécén-1-yl]oxy}propyle [French] [ACD/IUPAC Name]
Phosphoric acid, 2-aminoethyl (2R)-2-hydroxy-3-[[(6Z)-2-methoxy-13-methyl-6-tetradecen-1-yl]oxy]propyl ester [ACD/Index Name]
1-(2-methoxy-13-methyl-6Z-tetradecenyl)-sn-glycero-3-phosphoethanolamine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 557.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.5±6.0 kJ/mol
Flash Point: 291.2±32.9 °C
Index of Refraction: 1.484
Molar Refractivity: 119.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.72
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.02
Polar Surface Area: 130 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 418.2±3.0 cm3

Click to predict properties on the Chemicalize site


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