2-Amino-9-{[(2-Hydroxy-2-Oxido-1,3,2-Dioxaphosphinan-5-Yl)Oxy]Methyl}-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C9H12N5O6P
IUPAC Name 2-amino-9-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)oxymethyl]-3h-purin-6-one
Molecular Mass 317.195 g·mol−1
Heat of Formation -1018.5 ± 16.7 kJ·mol−1
Dipole Moment 14.73 ± 1.08 D
Volume 324.02 Å 3
Surface Area 286.04 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2-hydroxy-2-keto-1,3-dioxa-2$l^{5}-phosphacyclohex-5-yl)oxymethyl]-3h-purin-6-one
  • 2-amino-9-[(2-hydroxy-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-5-yl)oxymethyl]-3h-purin-6-one
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-(((2-hydroxy-2-oxido-1,3,2-dioxaphosphorinan-5-yl)oxy)methyl)-
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-[[(2-hydroxy-2-oxido-1,3,2-dioxaphosphorinan-5-yl)oxy]methyl]-
  • 9((2-hydroxy-1,3,2-dioxaphosphorinan-5-yl)oxy-methyl)guanine-p-oxide
  • 9[(2-hydroxy-1,3,2-dioxaphosphorinan-5-yl)oxy-methyl]guanine-p-oxide
  • dhpg-cp
CAS Number(s)
  • 91516-85-7
InChIKey MWPCMYIIXPYDAK-UHFFFAOYSA-N
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