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

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Properties Simple | Detailed

Formula C12H16N2O7S
IUPAC Name methyl 2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-2-thioxo-pyrimidin-5-yl]acetate
Molecular Mass 332.330 g·mol−1
Heat of Formation -1169.3 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 348.73 Å 3
Surface Area 298.21 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.66 ± 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 methyl ester
  • 2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-keto-2-thioxo-pyrimidin-5-yl]acetic acid methyl ester
  • methyl 2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-pyrimidin-5-yl]ethanoate
  • methyl 2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]acetate
  • methyl 2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-2-thioxo-pyrimidin-5-yl]acetate
InChIKey HLZXTFWTDIBXDF-PNHWDRBUSA-N
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