3-[(2R,3R,4R,5R)-4-Hydroxy-5-({[(S)-Hydroxy{[(R)-Hydroxy{[(2R,3S,4R,5R)-3,4,5-Trihydroxytetrahydro-2-Furanyl]Methoxy}Phosphoryl]Oxy}Phosphoryl]Oxy}Methyl)-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,9-Dihydroimidazo[2,1-I]Purin-6-Ium

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Properties Simple | Detailed

Formula C17H25N5O17P3+
IUPAC Name [oxido-[[3-oxo-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-5-[(z)-1,2,3,3-tetrakis(methylidyneammonio)prop-2-enylideneamino]-2-furyl]methoxy]phosphoryl] (3,4,5-trioxotetrahydrofuran-2-yl)methyl phosphate
Molecular Mass 664.325 g·mol−1
Heat of Formation -3622.2 ± 16.7 kJ·mol−1
Dipole Moment 9.54 ± 1.08 D
Volume 645.99 Å 3
Surface Area 441.33 Å 2
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5r)-3-hydroxy-5-(9h-imidazo[2,1-f]purin-6-ium-3-yl)-4-phosphonooxy-2-tetrahydrofuranyl]methyl [hydroxy-[[(2r,3s,4r,5r)-3,4,5-trihydroxy-2-tetrahydrofuranyl]methoxy]phosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5r)-3-hydroxy-5-(9h-imidazo[2,1-f]purin-6-ium-3-yl)-4-phosphonooxy-oxolan-2-yl]methyl [hydroxy-[[(2r,3s,4r,5r)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5r)-3-hydroxy-5-(9h-imidazo[2,1-f]purin-6-ium-3-yl)-4-phosphonooxy-tetrahydrofuran-2-yl]methyl [hydroxy-[[(2r,3s,4r,5r)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate
InChIKey SJFCRVDBCAOPJI-QJWJOKBXSA-O
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