4-Amino-1-(β-D-Xylofuranosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H13N3O5
IUPAC Name 4-amino-1-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 243.217 g·mol−1
Heat of Formation -800.8 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 259.46 Å 3
Surface Area 236.82 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(beta-d-xylofuranosyl)cytosine
  • 2(1h)-pyrimidinone, 4-amino-1-beta-d-xylofuranosyl-
  • 4-amino-1-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3r,4r,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-beta-d-xylofuranosyl-2(1h)-pyrimidinone
  • xylocytidine
CAS Number(s)
  • 3530-56-1
InChIKey UHDGCWIWMRVCDJ-PXBUCIJWSA-N
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