3'-Deoxy-3'-(Methylamino)Thymidine

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Properties Simple | Detailed

Formula C11H17N3O4
IUPAC Name 1-[(2r,4s,5s)-5-(hydroxymethyl)-4-(methylamino)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 255.270 g·mol−1
Heat of Formation -702.5 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 298.31 Å 3
Surface Area 270.21 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5s)-5-(hydroxymethyl)-4-methylamino-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4s,5s)-5-(hydroxymethyl)-4-methylamino-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5s)-5-(hydroxymethyl)-4-methylamino-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5s)-5-(hydroxymethyl)-4-methylaminooxolan-2-yl]-5-methylpyrimidine-2,4-dione
  • 3'-methylamino-2',3'-dideoxyribosylthymine
  • 5-methyl-1-[(2r,4s,5s)-4-methylamino-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • ddt(3'nhme)
  • thymidine, 3'-deoxy-3'-(methylamino)-
CAS Number(s)
  • 141039-00-1
InChIKey LDZKBUFNIZADPS-DJLDLDEBSA-N
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