2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-2-[Hydroxy(Phenyl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethyl Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C19H24N4O8P2S
IUPAC Name 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-[hydroxy(phenyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
Molecular Mass 530.428 g·mol−1
Heat of Formation 1553.5 ± 16.7 kJ·mol−1
Dipole Moment 7.59 ± 1.08 D
Volume 526.25 Å 3
Surface Area 449.37 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -3.14 ± eV
Point Group Symmetry C1
InChIKey ZOLUTNQCUQSPSG-UHFFFAOYSA-N
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