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

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Formula C9H13N3O4+
IUPAC Name 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 227.217 g·mol−1
Heat of Formation -630.3 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 255.15 Å 3
Surface Area 239.34 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
InChIKey CKTSBUTUHBMZGZ-BBVRLYRLSA-N
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