(1S)-1,4-Anhydro-2-Deoxy-1-(3-Methyl-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)-D-Erythro-Pentitol

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Properties Simple | Detailed

Formula C10H14N2O5++
IUPAC Name 5-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrimidine-2,4-dione
Molecular Mass 242.229 g·mol−1
Heat of Formation -901.6 ± 16.7 kJ·mol−1
Dipole Moment 1.31 ± 1.08 D
Volume 269.63 Å 3
Surface Area 243.94 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-3-methylpseudouridine
  • 2,4(1h,3h)-pyrimidinedione, 5-(2-deoxy-beta-d-erythro-pentofuranosyl)-3-methyl-
  • 5-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3-methyl-1h-pyrimidine-2,4-dione
  • 5-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1h-pyrimidine-2,4-dione
  • 5-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-1h-pyrimidine-2,4-dione
  • 5-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3-methyl-uracil
CAS Number(s)
  • 81691-10-3
InChIKey QDIHUJOIPYIRQS-BIIVOSGPSA-N
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