[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl (3R)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(3,3,3-Trifluoro-2-Oxopropyl)Sulfanyl]Ethyl}Amino)Propyl]Amino}Butyl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C24H37F3N7O17P3S
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3,3,3-trifluoro-2-oxo-propyl)sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate
Molecular Mass 877.569 g·mol−1
Heat of Formation -1960.2 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 755.6 Å 3
Surface Area 547.24 Å 2
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-3-phosphonooxy-2-tetrahydrofuranyl]methyl [hydroxy-[(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-[(3,3,3-trifluoro-2-oxopropyl)thio]ethylamino]propyl]amino]butoxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl [hydroxy-[(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3,3,3-trifluoro-2-oxo-propyl)sulfanylethylamino]propyl]amino]butoxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3,3,3-trifluoro-2-oxo-propyl)sulfanylethylamino]propyl]amino]butoxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(3r)-3-hydroxy-4-keto-4-[[3-keto-3-[2-[(3,3,3-trifluoro-2-keto-propyl)thio]ethylamino]propyl]amino]-2,2-dimethyl-butoxy]phosphoryl] hydrogen phosphate
  • cof
  • trifluoroacetonyl coenzyme a
InChIKey XDIQTPZOIIYCTR-GRFIIANRSA-N
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