[(2R,3S,4R,5R)-5-(6-Amino-8-Thiocyanatopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS 139041-17-1]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Amino-8-Thiocyanatopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Amino-8-Thiocyanato-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-8-Thiocyanato-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-8-Thiocyanato-Purin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₁H₁₅N₆O₁₃P₃S
• Molecular Weight: 564.25
• CAS Registry Number: 139041-17-1
• SMILES: [C@@H]1(CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[C@@H](O)[C@@H](O)[C@@H](O1)[N]2C(=NC3=C2N=CN=C3N)SC#N
• InChI: 1S/C11H15N6O13P3S/c12-2-34-11-16-5-8(13)14-3-15-9(5)17(11)10-7(19)6(18)4(28-10)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,18-19H,1H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
• InChIKey: FTOLYLJDISCXPB-KQYNXXCUSA-N