ChemSpider 2D Image | Octadecyloxyethyl-cidofovir | C28H54N3O7P

Octadecyloxyethyl-cidofovir

  • Molecular FormulaC28H54N3O7P
  • Average mass575.718 Da
  • Monoisotopic mass575.369934 Da
  • ChemSpider ID424002
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Octadecyloxyethyl-cidofovir
2-(Octadecyloxy)ethyl hydrogen ({[(2S)-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxy-2-propanyl]oxy}methyl)phosphonate [ACD/IUPAC Name]
2-(octadecyloxy)ethyl hydrogen ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonate
2-(Octadecyloxy)ethyl-hydrogen({[(2S)-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxy-2-propanyl]oxy}methyl)phosphonat [German] [ACD/IUPAC Name]
Hydrogéno({[(2S)-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxy-2-propanyl]oxy}méthyl)phosphonate de 2-(octadécyloxy)éthyle [French] [ACD/IUPAC Name]
ODE-CDV [Wiki]
Phosphonic acid, P-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, mono[2-(octadecyloxy)ethyl] ester [ACD/Index Name]
[(S)-2-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-1-hydroxymethyl-ethoxymethyl]-phosphonic acid mono-(2-octadecyloxy-ethyl) ester
1-O-octadecylethanediol-CDV

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

AIDS104905 [DBID]
AIDS-104905 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 697.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.8±6.0 kJ/mol
Flash Point: 375.6±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 152.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 8.12
ACD/KOC (pH 5.5): 22.79
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 2.31
ACD/KOC (pH 7.4): 6.48
Polar Surface Area: 154 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 494.6±7.0 cm3

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