(2R,3R,4R,5R)-2-(2-Amino-1,7-Dimethyl-6-Oxo-6,7-Dihydro-1H-Purin-9-Ium-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydro-3-Furanolate

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Properties Simple | Detailed

Formula C12H17N5O5
IUPAC Name (2r,3r,4s,5r)-2-(2-amino-1,7-dimethyl-6-oxo-purin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-olate
Molecular Mass 311.294 g·mol−1
Heat of Formation -494.2 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 345.19 Å 3
Surface Area 299.42 Å 2
HOMO Energy -7.21 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(2-amino-1,7-dimethyl-6-oxo-9-purin-9-iumyl)-4-hydroxy-5-(hydroxymethyl)-3-tetrahydrofuranolate
  • (2r,3r,4s,5r)-2-(2-amino-1,7-dimethyl-6-oxo-purin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-olate
  • (2r,3r,4s,5r)-2-(2-amino-1,7-dimethyl-6-oxo-purin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-olate
  • (2r,3r,4s,5r)-2-(2-amino-1,7-dimethyl-6-oxopurin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-olate
  • (2r,3r,4s,5r)-2-(2-amino-6-keto-1,7-dimethyl-purin-9-ium-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-olate
  • 1,7-dimethylguanosine
  • 1h-purinium, 2,9-dihydro-6-hydroxy-2-imino-1,7-dimethyl-9-beta-d-ribofuranosyl-, hydroxide, inner salt
CAS Number(s)
  • 26624-46-4
InChIKey AISVAXNALHBFPC-IOSLPCCCSA-N
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