5'-O-{Hydroxy[(2-Propylpentanoyl)Oxy]Phosphoryl}Adenosine

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Properties Simple | Detailed

Formula C18H28N5O8P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-λ1-azanylpurine-1,3,7-triium-9-yl)tetrahydrofuran-2-yl]methyl [(2s)-1-hydroxy-2-propyl-pent-4-enyl] phosphate
Molecular Mass 473.417 g·mol−1
Heat of Formation -1655.3 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 532.71 Å 3
Surface Area 434.43 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 2-propylpentanoic acid [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] ester
  • 2-propylvaleric acid [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester
  • 5'-adenylic acid, monoanhydride with 2-propylpentanoic acid
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] 2-propylpentanoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2-propylpentanoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-propylpentanoate
  • valproyl-adenylic acid
  • valproyl-amp
CAS Number(s)
  • 140233-88-1
InChIKey WIBHCYGIEDIFDO-LSCFUAHRSA-N
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