(4Ar,6R,7R,7As)-6-{6-Amino-8-[(1-Pentylhydrazino)Methyl]-9H-Purin-9-Yl}Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinine-2,7-Diol 2-Oxide

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Properties Simple | Detailed

Formula C16H26N7O6P
IUPAC Name (2s,4ar,6r,7r,7as)-6-[6-amino-8-[[amino(pentyl)amino]methyl]purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular Mass 443.395 g·mol−1
Heat of Formation -1028.4 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 490.7 Å 3
Surface Area 419.01 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,6r,8r,9r)-8-[6-amino-8-[(amino-amyl-amino)methyl]purin-9-yl]-3-hydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-[6-amino-8-[(amino-pentyl-amino)methyl]purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-[6-amino-8-[(amino-pentylamino)methyl]-9-purinyl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-[6-amino-8-[(amino-pentylamino)methyl]purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • 8-(6-aminohexyl)amino cyclic amp
  • 8-aminohexylamino camp
  • 8-aminohexylamino-adenosine cyclic monophosphate
  • adenosine, 8-((6-aminohexyl)amino)-, cyclic 3',5'-(hydrogen phosphate)
CAS Number(s)
  • 39824-30-1
InChIKey MTPSJZOUBIGSHY-RVXWVPLUSA-N
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