N-{9-[(4Ar,6R,7R,7As)-2,7-Dihydroxy-2-Oxidotetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-9H-Purin-6-Yl}Butanamide

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Properties Simple | Detailed

Formula C14H18N5O7P
IUPAC Name n-[9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purine-1,3,7-triium-6-yl]butanamide
Molecular Mass 399.296 g·mol−1
Heat of Formation -1206.7 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 414.34 Å 3
Surface Area 371.14 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • adenosine, n-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)
  • cyclic n6-monobutyryl-amp
  • cyclic n6-monobutyryladenosine-3',5'-monophosphate
  • monobutyryl adnosine cyclic 3',5'-monophosphate
  • monobutyryl cyclic amp
  • n(6)-butyryl adenosine-3',5'-cyclic monophosphate
  • n(6)-butyryl cyclic amp
  • n(6)-monobutyryl adenosine-3',5'-cyclic monophosphate
  • n(6)-monobutyryl cyclic amp
  • n-[9-[(1s,6r,8r,9r)-3,9-dihydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]purin-6-yl]butyramide
  • n-[9-[(1s,6r,8r,9r)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-6-purinyl]butanamide
  • n-[9-[(1s,6r,8r,9r)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]purin-6-yl]butanamide
  • n6-butyryl-3',5'-cyclic amp
  • n6-butyryl-camp
  • n6-butyryladenosine 3',5'-cyclic phosphate
  • n6-monobutyryl-camp
  • n6-monobutyryladenosine-3',5'-cyclic monophosphate
  • n6-monobutyryladenosine-3',5'-cyclic monophosphoric acid
CAS Number(s)
  • 13117-60-7
  • 29117-37-1
  • 32266-36-7
  • 33116-16-4
InChIKey NVGDLMUKSMHEQT-FRJWGUMJSA-N
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