5'-trityl-d(tgggag)-3'-phosphate, phenyl ester

Structural Information

Molecular Formula

C₈₅H₉₃N₂₇O₃₇P₆

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(=O)(O)OC1=CC=CC=C1

InChI

InChI=1S/C85H93N27O37P6/c1-41-28-107(84(118)106-75(41)113)58-22-46(52(137-58)29-131-85(42-14-6-2-7-15-42,43-16-8-3-9-17-43)44-18-10-4-11-19-44)144-150(119,120)132-31-54-48(24-60(139-54)109-37-94-65-71(109)98-80(87)102-76(65)114)147-152(123,124)134-33-56-50(26-62(141-56)111-39-96-67-73(111)100-82(89)104-78(67)116)148-153(125,126)135-32-55-49(25-61(140-55)110-38-95-66-72(110)99-81(88)103-77(66)115)146-151(121,122)133-30-53-47(23-59(138-53)108-36-93-64-69(86)91-35-92-70(64)108)145-154(127,128)136-34-57-51(149-155(129,130)143-45-20-12-5-13-21-45)27-63(142-57)112-40-97-68-74(112)101-83(90)105-79(68)117/h2-21,28,35-40,46-63H,22-27,29-34H2,1H3,(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H2,86,91,92)(H,106,113,118)(H3,87,98,102,114)(H3,88,99,103,115)(H3,89,100,104,116)(H3,90,101,105,117)/t46-,47-,48-,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,59?,60+,61+,62+,63+/m0/s1

InChIKey

LVPLHNRWZQFQTP-LNAJVQONSA-N

Compound name

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

Related CIDs

• CID 16186528