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

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Properties Simple | Detailed

Formula C12H16N4O10P3S---
IUPAC Name [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 501.263 g·mol−1
Heat of Formation 216.0 ± 16.7 kJ·mol−1
Dipole Moment 6.98 ± 1.08 D
Volume 445.01 Å 3
Surface Area 378.32 Å 2
Point Group Symmetry C1
Synonyms
  • [[2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
  • [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
  • [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
InChIKey IWLROWZYZPNOFC-UHFFFAOYSA-K
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