1-[(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Pyridin-1-Ium-3-Carboxylic Acid

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Formula C21H28N6O18P3+
IUPAC Name 1-[(2r,3r,4s,5r)-5-[[[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid
Molecular Mass 745.398 g·mol−1
Heat of Formation -3702.8 ± 16.7 kJ·mol−1
Dipole Moment 18.85 ± 1.08 D
Volume 731.91 Å 3
Surface Area 487.37 Å 2
Point Group Symmetry C1
Synonyms
  • 1-[(2r,3r,4s,5r)-5-[[[[(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-3-hydroxy-4-phosphonooxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxy-2-tetrahydrofuranyl]-3-pyridin-1-iumcarboxylic acid
  • 1-[(2r,3r,4s,5r)-5-[[[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]pyridin-1-ium-3-carboxylic acid
InChIKey QOTXBMGJKFVZRD-HISDBWNOSA-O
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