1-(β-D-Arabinofuranosyl)-4-Thioxo-3,4-Dihydro-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H12N2O5S++
IUPAC Name 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one
Molecular Mass 260.267 g·mol−1
Heat of Formation -777.2 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 276.06 Å 3
Surface Area 248.61 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-thioxo-2-pyrimidinone
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidene-pyrimidin-2-one
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one
  • 2(1h)-pyrimidinone, 1-beta-d-arabinofuranosyl-3,4-dihydro-4-thioxo-
  • arabino-4-thiouridine
InChIKey ZLOIGESWDJYCTF-CCXZUQQUSA-N
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