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 C15H28N4O11P3S
IUPAC Name [(1s)-1-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(hydroxy-phosphonooxyphosphoryl)oxyethyl]-4-methyl-1,3-thiazol-3-ium-2-yl]-1-hydroxyethyl]-methoxyphosphinic acid
Molecular Mass 565.389 g·mol−1
Heat of Formation -2663.2 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 581.1 Å 3
Surface Area 475.39 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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