5'-dbb-d[tgtgag]-3'

Structural Information

Molecular Formula

C₈₁H₉₃N₂₄O₃₇P₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COCC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OCC9C(CC(O9)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C81H93N24O37P5/c1-38-22-100(80(112)98-72(38)107)58-17-46(52(133-58)27-124-24-42-13-14-44(125-25-40-9-5-3-6-10-40)45(15-42)126-26-41-11-7-4-8-12-41)138-144(116,117)129-31-55-49(20-61(136-55)104-36-90-65-70(104)93-78(84)96-75(65)110)141-146(120,121)128-29-53-47(18-59(134-53)101-23-39(2)73(108)99-81(101)113)139-145(118,119)131-32-56-50(21-62(137-56)105-37-91-66-71(105)94-79(85)97-76(66)111)142-147(122,123)130-30-54-48(19-60(135-54)102-34-88-63-67(82)86-33-87-68(63)102)140-143(114,115)127-28-51-43(106)16-57(132-51)103-35-89-64-69(103)92-77(83)95-74(64)109/h3-15,22-23,33-37,43,46-62,106H,16-21,24-32H2,1-2H3,(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H2,82,86,87)(H,98,107,112)(H,99,108,113)(H3,83,92,95,109)(H3,84,93,96,110)(H3,85,94,97,111)

InChIKey

KPVRCRQHNKSMEN-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [2-[[3,4-bis(phenylmethoxy)phenyl]methoxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16186588