4-{[(4Ar,6R,7R,7Ar)-6-(6-Amino-9H-Purin-9-Yl)-2-Hydroxy-2-Oxidotetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Yl]Oxy}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C14H16N5O9P
IUPAC Name 4-[[(2s,4ar,6r,7r,7ar)-6-(6-aminopurine-1,3,7-triium-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl]oxy]-4-oxo-butanoic acid
Molecular Mass 429.279 g·mol−1
Heat of Formation -1576.1 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 442.04 Å 3
Surface Area 372.5 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(1r,6r,8r,9r)-8-(6-amino-9-purinyl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-yl]oxy]-4-oxobutanoic acid
  • 4-[[(1r,6r,8r,9r)-8-(6-aminopurin-9-yl)-3-hydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-yl]oxy]-4-keto-butyric acid
  • 4-[[(1r,6r,8r,9r)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-yl]oxy]-4-oxo-butanoic acid
  • 4-[[(1r,6r,8r,9r)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-yl]oxy]-4-oxobutanoic acid
  • adenosine cyclic 3',5'-(hydrogen phosphate) 2'-(hydrogen succinate)
  • adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-(hydrogen butanedioate)
  • succinyladenosine 3',5'-cyclic monophosphate
CAS Number(s)
  • 36940-87-1
InChIKey QNPSLGPIZRJDAN-UISLRAPISA-N
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