4-Amino-1-(5-Deoxy-β-D-Arabino-Hexofuranosyl)-2(1H)-Pyrimidinone

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Formula C10H15N3O5
IUPAC Name 4-amino-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(2-hydroxyethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 257.243 g·mol−1
Heat of Formation -810.2 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 286.71 Å 3
Surface Area 260.49 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-deoxy-beta-arabino-hexofuranosyl)cytosine
  • 2(1h)-pyrimidinone, 4-amino-1-(5-deoxy-beta-d-arabino-hexofuranosyl)-
  • 4'-homo-ara-c
  • 4-amino-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(2-hydroxyethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(2-hydroxyethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
CAS Number(s)
  • 88238-38-4
InChIKey LJBKDGZXUROQIV-BUJSFMDZSA-N
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