N-{[4-Oxo-1-(β-D-Ribofuranosyl)-2-Thioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl]Methyl}Glycine

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Formula C12H17N3O7S
IUPAC Name 2-[[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-2-thioxo-pyrimidin-5-yl]methylamino]acetic acid
Molecular Mass 347.344 g·mol−1
Heat of Formation -1152.1 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 370.11 Å 3
Surface Area 314.98 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.15 ± 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]methylamino]acetic acid
  • 2-[[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-pyrimidin-5-yl]methylamino]ethanoic acid
  • 2-[[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylamino]acetic acid
  • 2-[[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-2-thioxo-pyrimidin-5-yl]methylamino]acetic acid
  • 2-[[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-keto-2-thioxo-pyrimidin-5-yl]methylamino]acetic acid
  • 5-(carboxymethylaminomethyl)-2-thiouridine
  • 5-cmtu
  • glycine, n-((1,2,3,4-tetrahydro-4-oxo-1-beta-d-ribofuranosyl-2-thioxo-5-pyrimidinyl)methyl)-
CAS Number(s)
  • 78173-95-2
InChIKey VKLFQTYNHLDMDP-PNHWDRBUSA-N
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