5'-O-[Hydroxy(Phosphonomethyl)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]methylphosphonic acid
Molecular Mass 425.228 g·mol−1
Heat of Formation -1877.5 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 425.37 Å 3
Surface Area 364.66 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]methylphosphonic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
  • adenosine 5'-(alpha,beta-methylene)diphosphate
  • adenosine 5'-(hydrogen (phosphonomethyl)phosphonate)
  • adenosine 5'-methylenediphosphate
  • adenosine, 5'-(trihydrogen methylenebis(phosphonate))
  • adp[alpha,beta-ch2]
  • alpha,beta-methyleneadenosine 5'-diphosphate
  • alpha,beta-methyleneadenosine-5'-diphosphate
  • ap2
  • phosphomethylphosphonic acid adenosyl ester
InChIKey OLCWZBFDIYXLAA-IOSLPCCCSA-N
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