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}-5-O-Phosphono-D-Xylitol

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Properties Simple | Detailed

Formula C17H32N4O15P3S
IUPAC Name 2-[3-[(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methyl]-4-methyl-2-[(1s,2s,3r)-1,2,3-trihydroxy-1-(hydroxymethyl)-4-phosphonooxy-butyl]thiazol-2-id-5-yl]ethyl phosphono hydrogen phosphate
Molecular Mass 657.440 g·mol−1
Heat of Formation -3333.0 ± 16.7 kJ·mol−1
Dipole Moment 20.24 ± 1.08 D
Volume 658.3 Å 3
Surface Area 508.2 Å 2
Point Group Symmetry C1
InChIKey CRLXIEJPMQNLRP-IFIJOSMWSA-O
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