Ctcccg phosphorothioate oligonucleotide

Structural Information

Molecular Formula

C₅₆H₇₅N₁₉O₃₂P₆S₆

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)O)N4C=CC(=NC4=O)N)OP(=O)(OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=CC(=NC8=O)N)OP(=S)(O)OCC9C(CC(O9)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C56H75N19O32P6S6/c1-24-16-74(56(83)69-49(24)77)46-15-30(36(102-46)22-96-110(87,116)103-26-11-42(70-6-2-37(57)63-52(70)79)98-32(26)18-91-108(84,85)114)107-113(90,119)95-21-35-29(14-45(101-35)73-9-5-40(60)66-55(73)82)106-112(89,118)94-20-34-28(13-44(100-34)72-8-4-39(59)65-54(72)81)105-111(88,117)93-19-33-27(12-43(99-33)71-7-3-38(58)64-53(71)80)104-109(86,115)92-17-31-25(76)10-41(97-31)75-23-62-47-48(75)67-51(61)68-50(47)78/h2-9,16,23,25-36,41-46,76H,10-15,17-22H2,1H3,(H,86,115)(H,87,116)(H,88,117)(H,89,118)(H,90,119)(H2,57,63,79)(H2,58,64,80)(H2,59,65,81)(H2,60,66,82)(H,69,77,83)(H2,84,85,114)(H3,61,67,68,78)

InChIKey

OWFJZOSERXEGPS-UHFFFAOYSA-N

Compound name

1-[4-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 135508809