3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-2-{(1S)-1-Hydroxy-1-[(S)-Hydroxy(Methoxy)Phosphoryl]Ethyl}-5-(2-{[(S)-Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Ethyl)-4-Methyl-1,3-Thiazol-3-Ium

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Properties Simple | Detailed

Formula C15H26N4O11P3S+
IUPAC Name [(1s)-1-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[2-[dihydroxyphosphoryloxy(hydroxy)phosphoryl]oxyethyl]-4-methyl-thiazol-3-ium-2-yl]-1-hydroxy-ethyl]-methoxy-phosphinic acid
Molecular Mass 563.373 g·mol−1
Heat of Formation -125.8 ± 16.7 kJ·mol−1
Dipole Moment 13.11 ± 1.08 D
Volume 512.1 Å 3
Surface Area 421.3 Å 2
Point Group Symmetry C1
Synonyms
  • 2-phosphonolactylthiamin diphosphate
  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(methoxy)phosphoryl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
  • [(1s)-1-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-(hydroxy-phosphonooxyphosphoryl)oxyethyl]-4-methyl-2-thiazol-3-iumyl]-1-hydroxyethyl]-methoxyphosphinic acid
  • [(1s)-1-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[2-(hydroxy-phosphonooxy-phosphoryl)oxyethyl]-4-methyl-1,3-thiazol-3-ium-2-yl]-1-hydroxy-ethyl]-methoxy-phosphinic acid
  • [(1s)-1-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[2-(hydroxy-phosphonooxy-phosphoryl)oxyethyl]-4-methyl-thiazol-3-ium-2-yl]-1-hydroxy-ethyl]-methoxy-phosphinic acid
  • tdk
InChIKey ILGXNMPRCMTAOK-HNNXBMFYSA-O
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