1-(3-Deoxy-B-D-Arabinofuranosyl)Cytosine

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Properties Simple | Detailed

Formula C9H13N3O4
IUPAC Name 4-amino-1-[(2r,3s,5s)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 227.217 g·mol−1
Heat of Formation -633.2 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 252.49 Å 3
Surface Area 230.87 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-deoxy-beta-d-threo-pentofuranosyl)cytosine
  • 1-(3-deoxypentofuranosyl)cytosine
  • 2(1h)-pyrimidinone, 4-amino-1-(3-deoxy-b-d-threo-pentofuranosyl)-
  • 2(1h)-pyrimidinone, 4-amino-1-(3-deoxy-beta-d-threo-pentofuranosyl)-
  • 3'-deoxy-ara-c
  • 3'-deoxy-arac
  • 4-amino-1-(3-deoxy-beta-d-threo-pentofuranosyl)-2(1h)-pyrimidinone
  • 4-amino-1-[(2r,3s,5s)-3-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3s,5s)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,5s)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,5s)-3-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
CAS Number(s)
  • 58526-07-1
InChIKey ZHHOTKZTEUZTHX-VMHSAVOQSA-N
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