2-Amino-5-(Aminomethyl)-7-(β-D-Ribofuranosyl)-1,7-Dihydro-4H-Pyrrolo[2,3-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C12H17N5O5
IUPAC Name 2-amino-5-(aminomethyl)-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-pyrrolo[2,3-d]pyrimidin-3-ium-4-one
Molecular Mass 311.294 g·mol−1
Heat of Formation -676.4 ± 16.7 kJ·mol−1
Dipole Moment 9.63 ± 1.08 D
Volume 338.76 Å 3
Surface Area 299.39 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-5-(aminomethyl)-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1h-pyrrolo[3,2-e]pyrimidin-4-one
  • 2-amino-5-(aminomethyl)-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1h-pyrrolo[3,2-e]pyrimidin-4-one
  • 2-amino-5-(aminomethyl)-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-pyrrolo[3,2-e]pyrimidin-4-one
  • 2-amino-5-(aminomethyl)-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1h-pyrrolo[3,2-e]pyrimidin-4-one
  • 4h-pyrrolo(2,3-d)pyrimidin-4-one, 2-amino-5-(aminomethyl)-1,7-dihydro-7-beta-d-ribofuranosyl-
  • 7-aminomethyl-7-deazaguanosine
CAS Number(s)
  • 66048-70-2
InChIKey SOEYIPCQNRSIAV-IOSLPCCCSA-N
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