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

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Properties Simple | Detailed

Formula C17H31N4O8P2S
IUPAC Name 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1r)-1-hydroxy-3-methylbutyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
Molecular Mass 513.463 g·mol−1
Heat of Formation -2023.8 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 564.91 Å 3
Surface Area 455.23 Å 2
Point Group Symmetry C1
Synonyms
  • 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-[(1r)-1-hydroxy-3-methylbutyl]-4-methyl-5-thiazol-3-iumyl]ethyl phosphono hydrogen phosphate
  • 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-[(1r)-1-hydroxy-3-methyl-butyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
  • 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-[(1r)-1-hydroxy-3-methyl-butyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
  • c2-1-hydroxy-3-methyl-butyl-thiamin
InChIKey OZAWOYZVNPQFFO-CQSZACIVSA-O
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