2'-Deoxy-N,N,5-Trimethylcytidine

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Properties Simple | Detailed

Formula C12H19N3O4
IUPAC Name 4-(dimethylamino)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one
Molecular Mass 269.297 g·mol−1
Heat of Formation -640.3 ± 16.7 kJ·mol−1
Dipole Moment 6.52 ± 1.08 D
Volume 315.42 Å 3
Surface Area 281.95 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 4-dimethylamino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methyl-2-pyrimidinone
  • 4-dimethylamino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidin-2-one
  • 4-dimethylamino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
  • 4-dimethylamino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one
  • 4-dimethylamino-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one
  • 4-dimethylaminothymidine
  • 4-dma-th
  • cytidine, 2'-deoxy-n,n,5-trimethyl-
CAS Number(s)
  • 25406-45-5
InChIKey XFVZGRVQZIWASI-IVZWLZJFSA-N
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