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

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Properties Simple | Detailed

Formula C9H13N3O5
IUPAC Name 2-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5h-pyrimidin-1-ium-5-id-4-one
Molecular Mass 243.217 g·mol−1
Heat of Formation -739.0 ± 16.7 kJ·mol−1
Dipole Moment 9.16 ± 1.08 D
Volume 263.01 Å 3
Surface Area 238.7 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-amino-4-oxo-1(4h)-pyrimidinyl)-1-deoxy-beta-d-ribofuranose
  • 2-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-pyrimidinone
  • 2-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
  • 2-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-4-one
  • 2-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-4-one
  • 2-amino-1-beta-d-ribofuranosyl-4(1h)-pyrimidinone
  • 4(1h)-pyrimidinone, 2-amino-1-beta-d-ribofuranosyl-
  • isocytidine
CAS Number(s)
  • 489-59-8
InChIKey RGNOTKMIMZMNRX-XVFCMESISA-N
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