5'-O-(4,6-Dihydroxy-2,4,6-Trioxido-1,3,5,2,4,6-Trioxatriphosphinan-2-Yl)Adenosine

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Properties Simple | Detailed

Formula C10H14N5O12P3
IUPAC Name (2r,3r,4s,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[[(4s,6r)-4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl]oxymethyl]tetrahydrofuran-3,4-diol
Molecular Mass 489.166 g·mol−1
Heat of Formation -2727.9 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 449.47 Å 3
Surface Area 373.0 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(6-amino-9-purinyl)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5-trioxa-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohex-2-yl)oxymethyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-[(4,6-dihydroxy-2,4,6-triketo-1,3,5-trioxa-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohex-2-yl)oxymethyl]tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5-trioxa-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohex-2-yl)oxymethyl]oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5-trioxa-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohex-2-yl)oxymethyl]tetrahydrofuran-3,4-diol
  • adenosine, 5'-o-(4,6-dihydroxy-1,3,5,2,4,6-trioxatriphosphorinan-2-yl)-, p,p',p''-trioxide
  • adenosine-5'-trimetaphosphate
  • catmp
  • monoadenosine 5'-trimetaphosphate
CAS Number(s)
  • 53355-60-5
InChIKey AJXBDVJYPUYBBS-KQYNXXCUSA-N
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