Thiazolium, 3-[(4-Amino-6-Methyl-3-Pyridinyl)Methyl]-5-[2-[[(S)-Hydroxy(Phosphonooxy)Phosphinyl]Oxy]Ethyl]-4-Methyl-, Inner Salt

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Properties Simple | Detailed

Formula C13H19N3O7P2S
IUPAC Name [2-[3-[(4-amino-6-methylpyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate
Molecular Mass 423.318 g·mol−1
Heat of Formation 472.3 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 392.59 Å 3
Surface Area 346.14 Å 2
Point Group Symmetry C1
Synonyms
  • 3'-deazo-thiamin diphosphate
  • [2-[3-[(4-amino-6-methyl-3-pyridyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy-hydroxyphosphoryl] hydrogen phosphate
  • [2-[3-[(4-amino-6-methyl-3-pyridyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [2-[3-[(4-amino-6-methyl-pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [2-[3-[(4-amino-6-methylpyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate
  • n3t
InChIKey NWZZJKMZTWGIFE-UHFFFAOYSA-N
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