Thiamine Diphosphate

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Properties Simple | Detailed

Formula C12H18N4O7P2S
IUPAC Name 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono phosphate
Molecular Mass 424.306 g·mol−1
Heat of Formation -1657.8 ± 16.7 kJ·mol−1
Dipole Moment 7.75 ± 1.08 D
Volume 423.83 Å 3
Surface Area 327.73 Å 2
HOMO Energy -7.77 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-1,3-thiazoniol-5-yl)ethyl dihydrogen diphosphate
  • 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
  • 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl dihydrogen diphosphate
  • [2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy-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] hydrogen phosphate
  • [2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate
  • thiamin pyrophosphate
  • thiamine(1+) diphosphate(1-)
  • thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, inner salt
CAS Number(s)
  • 12318-71-7
  • 136-09-4
  • 495-24-9
InChIKey AYEKOFBPNLCAJY-UHFFFAOYSA-N
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