1-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-5-Methyl-1,3,5-Triazinane-2,4-Dione

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Properties Simple | Detailed

Formula C9H15N3O5
IUPAC Name 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-1,3,5-triazinane-2,4-dione
Molecular Mass 245.232 g·mol−1
Heat of Formation -927.4 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 272.71 Å 3
Surface Area 243.87 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5-triazine-2,4(1h,3h)-dione, 1-(2-deoxy-beta-d-erythro-pentofuranosyl)dihydro-5-methyl-
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methyl-1,3,5-triazinane-2,4-dione
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-1,3,5-triazinane-2,4-dione
  • 1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-1,3,5-triazinane-2,4-quinone
  • 5,6-dihydro-5-azathymidine
CAS Number(s)
  • 57350-36-4
InChIKey RFYOMFHIKWGPEC-XVMARJQXSA-N
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