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

Molecule SVG Image

Properties Simple | Detailed

Formula C13H19N3O7P2S
IUPAC Name [2-[3-[(2-amino-6-methyl-3-pyridyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 423.318 g·mol−1
Heat of Formation 1249.7 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 402.08 Å 3
Surface Area 363.41 Å 2
Point Group Symmetry C1
Synonyms
  • 1'-deazo-thiamin diphosphate
  • [2-[3-[(2-amino-6-methyl-3-pyridyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy-hydroxyphosphoryl] hydrogen phosphate
  • [2-[3-[(2-amino-6-methyl-3-pyridyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [2-[3-[(2-amino-6-methyl-pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [2-[3-[(2-amino-6-methylpyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate
  • n1t
InChIKey JHNXLHRDUXBCJW-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P S C O N