6-Amino-9-[(4Ar,6R,7As)-2-Hydroxy-2-Oxidotetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-1,9-Dihydro-2H-Purin-2-One

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Properties Simple | Detailed

Formula C10H13N5O6P
IUPAC Name 9-[(2s,4ar,6r,7as)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-amino-1h-purine-3,7-diium-6-id-2-one
Molecular Mass 330.214 g·mol−1
Heat of Formation -1040.8 ± 16.7 kJ·mol−1
Dipole Moment 6.54 ± 1.08 D
Volume 325.42 Å 3
Surface Area 292.92 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy cyclic gmp
  • 2'-deoxyguanosine cyclic 3',5'-(hydrogen phosphate)
  • 6-amino-9-[(1s,6r,8r)-3-hydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-1h-purin-2-one
CAS Number(s)
  • 13440-33-0
InChIKey IXCKLMZDPIEHOA-KVQBGUIXSA-N
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