5'-trityl-d(tgggag)-3'-phosphate, (2-chloro)phenyl ester

Structural Information

Molecular Formula

C₈₅H₉₂ClN₂₇O₃₇P₆

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=C1Cl

InChI

InChI=1S/C85H92ClN27O37P6/c1-40-27-108(84(119)107-75(40)114)58-21-46(52(138-58)28-132-85(41-13-5-2-6-14-41,42-15-7-3-8-16-42)43-17-9-4-10-18-43)145-151(120,121)133-30-54-48(23-60(140-54)110-36-95-65-71(110)99-80(88)103-76(65)115)148-153(124,125)135-32-56-50(25-62(142-56)112-38-97-67-73(112)101-82(90)105-78(67)117)149-154(126,127)136-31-55-49(24-61(141-55)111-37-96-66-72(111)100-81(89)104-77(66)116)147-152(122,123)134-29-53-47(22-59(139-53)109-35-94-64-69(87)92-34-93-70(64)109)146-155(128,129)137-33-57-51(150-156(130,131)144-45-20-12-11-19-44(45)86)26-63(143-57)113-39-98-68-74(113)102-83(91)106-79(68)118/h2-20,27,34-39,46-63H,21-26,28-33H2,1H3,(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H2,87,92,93)(H,107,114,119)(H3,88,99,103,115)(H3,89,100,104,116)(H3,90,101,105,117)(H3,91,102,106,118)/t46-,47-,48-,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,59?,60+,61+,62+,63+/m0/s1

InChIKey

QDYQNXRQBZLCMU-LNAJVQONSA-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-[(2-chlorophenoxy)-hydroxyphosphoryl]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 16186529