4'-Methyl-4'-Thiothymidine

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Formula C11H16N2O4S
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-5-methyl-tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 272.321 g·mol−1
Heat of Formation -751.2 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 307.99 Å 3
Surface Area 266.2 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-5-methyl-2-tetrahydrothiophenyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-5-methyl-tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-5-methyl-thiolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-methyl-5-methylol-tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 2'-deoxy-4'-methyl-4'-thiothymidine
CAS Number(s)
  • 152594-60-0
InChIKey CWWKIGPGXZODQG-VAOFZXAKSA-N
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