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

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Properties Simple | Detailed

Formula C9H13N3O4S
IUPAC Name 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2-thione
Molecular Mass 259.282 g·mol−1
Heat of Formation -542.7 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 275.77 Å 3
Surface Area 248.32 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyrimidinethione, 4-amino-1-.beta.-d-ribofuranosyl-
  • 2-thiocytidine
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinethione
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2-thione
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2-thione
  • 4-amino-1-beta-d-ribofuranosylpyrimidine-2(1h)-thione
  • cytidine, 2-thio-
CAS Number(s)
  • 13239-97-9
InChIKey RHFUOMFWUGWKKO-XVFCMESISA-N
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