S-(da)5

Structural Information

Molecular Formula

C₅₀H₆₁N₂₅O₁₉P₄S₄

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=S)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=S)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=S)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=S)(O)O[C@H]7C[C@@H](O[C@@H]7CO)N8C=NC9=C(N=CN=C98)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C50H61N25O19P4S4/c51-41-36-46(61-11-56-41)71(16-66-36)31-1-21(77)27(87-31)7-82-95(78,99)92-23-3-33(73-18-68-38-43(53)58-13-63-48(38)73)89-29(23)9-84-97(80,101)94-25-5-35(75-20-70-40-45(55)60-15-65-50(40)75)90-30(25)10-85-98(81,102)93-24-4-34(74-19-69-39-44(54)59-14-64-49(39)74)88-28(24)8-83-96(79,100)91-22-2-32(86-26(22)6-76)72-17-67-37-42(52)57-12-62-47(37)72/h11-35,76-77H,1-10H2,(H,78,99)(H,79,100)(H,80,101)(H,81,102)(H2,51,56,61)(H2,52,57,62)(H2,53,58,63)(H2,54,59,64)(H2,55,60,65)/t21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,95?,96?,97?,98?/m0/s1

InChIKey

LVNAUZZUIWSLLE-VZTJFNPGSA-N

Compound name

(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-ol

Related CIDs

• CID 469583