5'-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Methyl}Phosphoryl)Adenosine

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Properties Simple | Detailed

Formula C11H18N5O12P3
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Molecular Mass 505.208 g·mol−1
Heat of Formation -2701.5 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 492.21 Å 3
Surface Area 422.86 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (a,b-methylene)adenosine 5'-triphosphate
  • (a,b-methylene)adenosine triphosphate
  • 5'-(hydrogen((hydroxy(phosphonooxy)phosphinyl)methyl)phosphonate)adenosine
  • 9h-purin-6-amine, 9-[5-o-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphinyl]-.beta.-d-ribofuranosyl]-
  • 9h-purin-6-amine, 9-[5-o-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphinyl]-beta-d-ribofuranosyl]-
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-[(hydroxy-phosphonooxyphosphoryl)methyl]phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[(hydroxy-phosphonooxy-phosphoryl)methyl]phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[(hydroxy-phosphonooxy-phosphoryl)methyl]phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(hydroxy-phosphonooxyphosphoryl)methyl]phosphinic acid
  • a,b-methylene-atp
  • adenosine 5'-(a,b-methylenetriphosphate)
  • adenosine 5'-(hydrogen ((hydroxy(phosphonooxy)phosphinyl)methyl)phosphonate)
  • adenosine 5'-methylenediphosphono-p2-phosphate
  • adenosine, 5'-(trihydrogen methylenediphosphonate), monoanhydride with phosphoric acid (8ci)
  • adenosine, 5'-methylenediphosphonate, anhydride with h3po4 (7ci)
  • alpha,beta methylene atp
  • alpha,beta-methyleneadenosine 5'-triphosphate
  • apc
  • diphosphomethylphosphonic acid adenosyl ester
CAS Number(s)
  • 7292-42-4
InChIKey CAWZRIXWFRFUQB-IOSLPCCCSA-N
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