2-C-{3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-5-(2-{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Ethyl)-4-Methyl-1,3-Thiazol-3-Ium-2-Yl}-6-O-Phosphono-D-Glucitol

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Properties Simple | Detailed

Formula C18H36N4O16P3S
IUPAC Name [(3s)-5-[3-[(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methyl]-4-methyl-5-(2-oxoethyl)thiazol-2-id-2-yl]-2,3,4-trihydroxy-hex-5-enyl] dihydrogen phosphate; hydron; hydroxy-oxo-phosphonooxy-phosphonium; dihydrate
Molecular Mass 696.538 g·mol−1
Heat of Formation -3178.9 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 762.97 Å 3
Surface Area 593.9 Å 2
Point Group Symmetry C1
InChIKey AJFWOWNNZFXSES-TXPWEPMLSA-O
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