Thiamine Pyrophosphate

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Properties Simple | Detailed

Formula C12H19N4O7P2S+
IUPAC Name 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydroxyphosphoryl hydrogen phosphate
Molecular Mass 425.314 g·mol−1
Heat of Formation 627.1 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 393.23 Å 3
Surface Area 354.27 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -2.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl phosphono hydrogen phosphate
  • 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
  • 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium
  • tdp
  • thaimine pyrophosphate
  • thiamine(1+) diphosphate
  • thpp
  • tpp
InChIKey AYEKOFBPNLCAJY-UHFFFAOYSA-O
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