(1S)-1-(6-Amino-2-Oxo-1,2-Dihydro-5-Pyrimidinyl)-1,4-Anhydro-D-Ribitol

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Properties Simple | Detailed

Formula C9H13N3O5
IUPAC Name 6-amino-5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-pyrimidin-2-one
Molecular Mass 243.217 g·mol−1
Heat of Formation -797.5 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 265.27 Å 3
Surface Area 240.12 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyrimidinone, 4-amino-5-beta-d-ribofuranosyl-
  • 4-amino-5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-pyrimidin-2-one
  • 4-amino-5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-pyrimidin-2-one
  • 4-amino-5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-pyrimidin-2-one
  • 4-amino-5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-pyrimidin-2-one
  • 5-(beta-d-ribufuranosyl)cytosine
  • psi-cytidine
CAS Number(s)
  • 39030-19-8
InChIKey DZHQWVMWRUHHFF-GBNDHIKLSA-N
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