(4Ar,6R,7R,7As)-6-(6-Amino-8-Azido-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 C10H12N8O6P
IUPAC Name (2s,4ar,6r,7r,7as)-6-(6-amino-8-azido-purine-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-ol
Molecular Mass 371.226 g·mol−1
Heat of Formation -647.8 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 362.49 Å 3
Surface Area 317.14 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,6r,8r,9r)-8-(6-amino-8-azido-9-purinyl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-(6-amino-8-azido-purin-9-yl)-3-hydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-(6-amino-8-azido-purin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-(6-amino-8-azidopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • 8-azido-cyclic amp
  • 8-azidoadenosine 3',5'-monophosphate
  • 8-azidoadenosine cyclic 3',5'-(hydrogen phosphate)
  • 8-azidoadenosine-3',5'-monophosphate
  • adenosine, 8-azido-, cyclic 3',5'-(hydrogen phosphate)
CAS Number(s)
  • 31966-52-6
InChIKey KTMLKBFMGWQTEK-UUOKFMHZSA-N
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