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

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Properties Simple | Detailed

Formula C12H22N4O8P2S+
IUPAC Name 2-[3-[[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
Molecular Mass 444.338 g·mol−1
Heat of Formation -1779.0 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 457.93 Å 3
Surface Area 346.93 Å 2
Point Group Symmetry C1
Synonyms
  • 2-(3-{[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl}-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethyl trihydrogen diphosphate
  • 2-[3-[[4-(hydroxyamino)-2-methyl-5-pyrimidinyl]methyl]-4-methyl-5-thiazol-3-iumyl]ethyl phosphono hydrogen phosphate
  • 2-[3-[[4-(hydroxyamino)-2-methyl-pyrimidin-5-yl]methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
  • 2-[3-[[4-(hydroxyamino)-2-methyl-pyrimidin-5-yl]methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
  • 2tp
InChIKey YVLOFEOVSMJZTD-UHFFFAOYSA-O
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