5'-O-[Hydroxy(Sulfomethyl)Phosphoryl]Adenosine 3'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C11H17N5O12P2S
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methanesulfonic acid
Molecular Mass 505.292 g·mol−1
Heat of Formation -2437.9 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 494.42 Å 3
Surface Area 389.82 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-adenylic acid, 5'-(hydrogen(sulfomethyl)phosphonate)
  • 3'-mepaps
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-3-phosphonooxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]methanesulfonic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methanesulfonic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methanesulfonic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid
  • adenosine 3'-phosphate 5'-methylenephosphosulfate
CAS Number(s)
  • 136439-85-5
InChIKey JXHZTCWFXMKILW-IOSLPCCCSA-N
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