5'-O-[Hydroxy(Sulfomethyl)Phosphoryl]Adenosine 2'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C11H17N5O12P2S
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-(sulfomethyl)phosphinic acid
Molecular Mass 505.292 g·mol−1
Heat of Formation -2511.1 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 476.95 Å 3
Surface Area 368.25 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-adenylic acid, 5'-(hydrogen(sulfomethyl)phosphonate)
  • 2'-mepaps
  • [[(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-3-hydroxy-4-phosphonooxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]methanesulfonic acid
  • [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methanesulfonic acid
  • [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methanesulfonic acid
  • [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid
  • adenosine 2'-phosphate 5'-methylenephosphosulfate
CAS Number(s)
  • 136439-86-6
InChIKey SPPVIIPJDYOUQF-IOSLPCCCSA-N
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