9-{5-O-[Hydroxy(Phosphonomethyl)Phosphoryl]-β-L-Ribofuranosyl}-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C11H17N5O9P2
IUPAC Name [[(2s,3r,4s,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid
Molecular Mass 425.228 g·mol−1
Heat of Formation -1853.7 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 427.96 Å 3
Surface Area 377.59 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 9h-purin-6-amine, 9-[5-o-[hydroxy(phosphonomethyl)phosphinyl]-.beta.-l-ribofuranosyl]-
  • [[(2s,3r,4s,5s)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]methylphosphonic acid
  • [[(2s,3r,4s,5s)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid
  • [[(2s,3r,4s,5s)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid
  • [[(2s,3r,4s,5s)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CAS Number(s)
  • 3768-14-7
InChIKey OLCWZBFDIYXLAA-RYVZHVEOSA-N
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