[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxo-6-Thiocyanatobenzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate
[CAS# 101760-87-6]

Identification

• Name: [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxo-6-Thiocyanatobenzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate
• Synonyms: [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxo-6-Thiocyanato-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate; [5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxo-6-Thiocyanato-10-Benzo[G]Pteridinyl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate; [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[5-(2,4-Diketo-7,8-Dimethyl-6-Thiocyanato-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₂₈H₃₂N₁₀O₁₅P₂S
• Molecular Weight: 842.63
• CAS Registry Number: 101760-87-6
• SMILES: C1=NC6=C([N]1C2C(C(C(O2)CO[P](=O)(O)O[P](=O)(OCC(C(C(CN4C3=CC(=C(C(=C3N=C5C4=NC(NC5=O)=O)SC#N)C)C)O)O)O)O)O)O)N=CN=C6N
• InChI: 1S/C28H32N10O15P2S/c1-10-3-12-16(22(11(10)2)56-7-29)34-18-25(35-28(45)36-26(18)44)37(12)4-13(39)19(41)14(40)5-50-54(46,47)53-55(48,49)51-6-15-20(42)21(43)27(52-15)38-9-33-17-23(30)31-8-32-24(17)38/h3,8-9,13-15,19-21,27,39-43H,4-6H2,1-2H3,(H,46,47)(H,48,49)(H2,30,31,32)(H,36,44,45)
• InChIKey: PLNGEFWUGKMPAV-UHFFFAOYSA-N