[(2R,5R)-5-(2-Amino-8-{[(Z)-2-(4-Azidophenyl)Vinyl]Sulfinyl}-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3-Hydroxy-2,5-Dihydro-2-Furanyl]Methyl Dihydrogen Phosphate
[CAS# 149478-71-7]

Identification

• Name: [(2R,5R)-5-(2-Amino-8-{[(Z)-2-(4-Azidophenyl)Vinyl]Sulfinyl}-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3-Hydroxy-2,5-Dihydro-2-Furanyl]Methyl Dihydrogen Phosphate
• Synonyms: 8-(4-Azidophenacyl)thio-cyclic GMP; Apt-cgmp
• Molecular Formula: C₁₈H₁₇N₈O₈PS
• Molecular Weight: 536.41
• CAS Registry Number: 149478-71-7
• SMILES: [N-]=[N+]=N\c1ccc(cc1)\C=C/S(=O)c2nc4c(n2[C@@H]\3O[C@@H](C(/O)=C/3)COP(=O)(O)O)NC(=N/C4=O)\N
• InChI: 1S/C18H17N8O8PS/c19-17-22-15-14(16(28)23-17)21-18(36(32)6-5-9-1-3-10(4-2-9)24-25-20)26(15)13-7-11(27)12(34-13)8-33-35(29,30)31/h1-7,12-13,27H,8H2,(H2,29,30,31)(H3,19,22,23,28)/b6-5-/t12-,13-,36?/m1/s1
• InChIKey: NJGWWFGARBGAMJ-BOBKOGBWSA-N

Properties

• Refractive index: (Cal.)