[(2R,3R,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3-Hydroxy-4-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl [(2R,3S,4S)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C15H24N5O16P3
IUPAC Name [[(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 623.296 g·mol−1
Heat of Formation -3576.6 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 600.21 Å 3
Surface Area 429.04 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-3-hydroxy-4-phosphonooxy-2-tetrahydrofuranyl]methyl [[(2r,3s,4s)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl [[(2r,3s,4s)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • na7
InChIKey XDDBFIXGEVGCEU-AOOZFPJJSA-N
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