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

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Properties Simple | Detailed

Formula C17H29N4O8P2S
IUPAC Name 2-[(2e)-3-[(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methyl]-2-[(2s)-1-hydroxy-2-methyl-butylidene]-4-methyl-thiazol-5-yl]ethyl phosphono hydrogen phosphate
Molecular Mass 511.447 g·mol−1
Heat of Formation -1995.5 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 559.19 Å 3
Surface Area 454.42 Å 2
HOMO Energy -7.59 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
InChIKey MZVVOGXJVCPANP-JTQLQIEISA-N
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