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Formula C12H23N4O10P3S
IUPAC Name [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazolidin-5-yl]ethoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 508.318 g·mol−1
Heat of Formation -2560.2 ± 16.7 kJ·mol−1
Dipole Moment 10.33 ± 1.08 D
Volume 485.23 Å 3
Surface Area 365.16 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 1.69 ± eV
Point Group Symmetry C1
Synonyms
  • 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl trihydrogen triphosphate
  • [[2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • thiamine triphosphate
  • thiamine triphosphorate
  • thiamine triphosphoric acid ester
  • thiamine(1+) triphosphate(1-)
  • thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,8,8-tetrahydroxy-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)-, inner salt, p,p',p''-trioxide
CAS Number(s)
  • 534-78-1
  • 3475-65-8
InChIKey IWLROWZYZPNOFC-UHFFFAOYSA-N
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