[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3S,4R,5R)-5-(3-Carbamoyl-5-Methyl-Pyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C22H30N7O14P2+
IUPAC Name [[(5s)-5-(6-aminopurin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [5-(3-carbamoyl-5-methyl-pyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 678.460 g·mol−1
Heat of Formation -2763.2 ± 16.7 kJ·mol−1
Dipole Moment 15.63 ± 1.08 D
Volume 693.75 Å 3
Surface Area 466.62 Å 2
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3s,4r,5r)-5-(3-carbamoyl-5-methyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(3-aminocarbonyl-5-methyl-pyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
InChIKey YIJSIEJMUVGBMB-SWOWCTPLSA-O
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