3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-5-{2-[(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)Oxy]Ethyl}-4-Methyl-1,3-Thiazol-3-Ium

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Properties Simple | Detailed

Formula C12H23N4O10P3S
IUPAC Name 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Molecular Mass 508.318 g·mol−1
Heat of Formation -2612.0 ± 16.7 kJ·mol−1
Dipole Moment 7.86 ± 1.08 D
Volume 494.69 Å 3
Surface Area 352.88 Å 2
Point Group Symmetry C1
Synonyms
  • 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(triphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium
  • cpd-611
  • thiamin triphosphate
  • thiamine(1+) triphosphate
CAS Number(s)
  • 15666-52-1
InChIKey IWLROWZYZPNOFC-UHFFFAOYSA-O
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