5-(Carboxymethyl)-1-(β-D-Ribofuranosyl)-2-Thioxo-2,3-Dihydro-4(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C11H14N2O7S
IUPAC Name 2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-2-thioxo-pyrimidin-5-yl]acetic acid
Molecular Mass 318.303 g·mol−1
Heat of Formation -1187.2 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 327.45 Å 3
Surface Area 278.27 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-oxo-2-thioxo-5-pyrimidinyl]acetic acid
  • 2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-pyrimidin-5-yl]ethanoic acid
  • 2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]acetic acid
  • 2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-2-thioxo-pyrimidin-5-yl]acetic acid
  • 2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-keto-2-thioxo-pyrimidin-5-yl]acetic acid
  • 2-thio-5-carboxymethyluridine
  • 5-pyrimidineacetic acid, 1,2,3,4-tetrahydro-4-oxo-1-beta-d-ribofuranosyl-2-thioxo-
CAS Number(s)
  • 58479-77-9
InChIKey MSGFOEBMIJOVCL-VPCXQMTMSA-N
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