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

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Formula C10H15N3O5
IUPAC Name 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(2-hydroxyethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 257.243 g·mol−1
Heat of Formation -829.6 ± 16.7 kJ·mol−1
Dipole Moment 6.22 ± 1.08 D
Volume 283.74 Å 3
Surface Area 256.46 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-deoxy-beta-d-hexofuranosyl)cytosine
  • 2(1h)-pyrimidinone, 4-amino-1-(5-deoxy-beta-d-ribo-hexopyranosyl)-
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(2-hydroxyethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(2-hydroxyethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
CAS Number(s)
  • 55085-34-2
InChIKey LJBKDGZXUROQIV-ZOQUXTDFSA-N
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