5'-O-(Hydroxy{[Hydroxy(Methyl)Phosphoryl]Oxy}Phosphoryl)Adenosine

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Properties Simple | Detailed

Formula C11H17N5O9P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-methyl-phosphinic acid
Molecular Mass 425.228 g·mol−1
Heat of Formation -1927.1 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 430.36 Å 3
Surface Area 367.73 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-methylphosphinic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-methyl-phosphinic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-methyl-phosphinic acid
  • m33
InChIKey IPSMXNMCXMRRGZ-IOSLPCCCSA-N
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