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

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Properties Simple | Detailed

Formula C12H20N5O6P2S+
IUPAC Name [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl]amino]phosphonic acid
Molecular Mass 424.330 g·mol−1
Heat of Formation 720.3 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 396.36 Å 3
Surface Area 350.42 Å 2
Point Group Symmetry C1
Synonyms
  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonoamino)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
  • [2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azon iacyclopenta-2,4-dien-5-yl]ethoxy-hydroxy-phosphoryl]aminophosphonic acid
  • [[2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy-hydroxyphosphoryl]amino]phosphonic acid
  • [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl]amino]phosphonic acid
  • [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl]amino]phosphonic acid
  • thiamin-pnp
  • vnp
InChIKey LWNISHVQCROCTL-UHFFFAOYSA-O
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