5'-trityl-d(tgggag)-3'-phosphorothioate, hydroxyethyl ester

Structural Information

Molecular Formula

C₈₁H₉₃N₂₇O₃₇P₆S

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OP(=O)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OC[C@@H]9[C@H](C[C@@H](O9)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCCO

InChI

InChI=1S/C81H93N27O37P6S/c1-38-25-103(80(115)102-71(38)110)54-19-42(48(134-54)26-127-81(39-11-5-2-6-12-39,40-13-7-3-8-14-40)41-15-9-4-10-16-41)140-146(116,117)129-28-50-44(21-56(136-50)105-34-90-61-67(105)94-76(83)98-72(61)111)143-148(120,121)131-30-52-46(23-58(138-52)107-36-92-63-69(107)96-78(85)100-74(63)113)144-149(122,123)132-29-51-45(22-57(137-51)106-35-91-62-68(106)95-77(84)99-73(62)112)142-147(118,119)130-27-49-43(20-55(135-49)104-33-89-60-65(82)87-32-88-66(60)104)141-150(124,125)133-31-53-47(145-151(126,152)128-18-17-109)24-59(139-53)108-37-93-64-70(108)97-79(86)101-75(64)114/h2-16,25,32-37,42-59,109H,17-24,26-31H2,1H3,(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,152)(H2,82,87,88)(H,102,110,115)(H3,83,94,98,111)(H3,84,95,99,112)(H3,85,96,100,113)(H3,86,97,101,114)/t42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55?,56+,57+,58+,59+,151?/m0/s1

InChIKey

SSKPKNPHTBREEP-QDOGBAQXSA-N

Compound name

[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(2-hydroxyethoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16186532