[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxo-6-Sulfanylidene-1H-Benzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate
[CAS# 101760-90-1]

Identification

• Name: [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxo-6-Sulfanylidene-1H-Benzo[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-Thioxo-1H-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-Thioxo-1H-Benzo[G]Pteridin-10-Yl)-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-Thioxo-1H-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₂₇H₃₃N₉O₁₅P₂S
• Molecular Weight: 817.62
• CAS Registry Number: 101760-90-1
• SMILES: C2=NC1=C(N=CN=C1[N]2C3OC(C(O)C3O)CO[P](O[P](OCC(O)C(O)C(O)CN5C4=CC(=C(C(=S)C4=NC6=C5NC(=O)NC6=O)C)C)(O)=O)(O)=O)N
• InChI: 1S/C27H33N9O15P2S/c1-9-3-11-15(21(54)10(9)2)32-17-24(33-27(43)34-25(17)42)35(11)4-12(37)18(39)13(38)5-48-52(44,45)51-53(46,47)49-6-14-19(40)20(41)26(50-14)36-8-31-16-22(28)29-7-30-23(16)36/h3,7-8,12-14,18-20,26,37-41H,4-6H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)
• InChIKey: ZPSYGSQNTFULQY-UHFFFAOYSA-N

Properties

• Density: 2.124g/cm³ (Cal.)