(3Ar,4R,6R,6Ar)-4-(6-Amino-9H-Purin-9-Yl)-6-(Hydroxymethyl)Tetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-2-Ol 2-Oxide

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Formula C10H12N5O6P
IUPAC Name [(2s,3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
Molecular Mass 329.206 g·mol−1
Heat of Formation -1065.9 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 323.28 Å 3
Surface Area 290.12 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2',3'-cyclic amp
  • [(1r,2r,4r,5r)-2-(6-amino-9-purinyl)-7-hydroxy-7-oxo-3,6,8-trioxa-7$l^{5}-phosphabicyclo[3.3.0]octan-4-yl]methanol
  • [(1r,2r,4r,5r)-2-(6-aminopurin-9-yl)-7-hydroxy-7-keto-3,6,8-trioxa-7$l^{5}-phosphabicyclo[3.3.0]octan-4-yl]methanol
  • ack
  • adenosine cyclic 2',3'-(hydrogen phosphate)
InChIKey KMYWVDDIPVNLME-KQYNXXCUSA-N
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