4-Amino-1-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-2(1H)-Pyridinone

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Properties Simple | Detailed

Formula C10H14N2O4
IUPAC Name 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridin-2-one
Molecular Mass 226.229 g·mol−1
Heat of Formation -670.0 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 258.61 Å 3
Surface Area 239.66 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-3-deazacytidine
  • 2(1h)-pyridinone, 4-amino-1-(2-deoxy-beta-d-erythro-pentofuranosyl)-
  • 3-deaza-2'-deoxycytidine
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyridinone
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-2-one
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridin-2-one
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2-pyridone
  • d(3-deazac)
CAS Number(s)
  • 29868-19-7
InChIKey LUCZKBAXEKWOLH-XKSSXDPKSA-N
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