(3-5)hexadecylaminoacetate conjugated oligonucleotide (p-ctccgcttct)

Structural Information

Molecular Formula

C₁₁₃H₁₆₁N₂₉O₆₆P₁₀

SMILES

CCCCCCCCCCCCCCCCOC(=O)CNP(=O)(O)OCC1C(CC(O1)N2C=CC(=NC2=O)N)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=O)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=O)(O)OCC7C(CC(O7)N8C=CC(=NC8=O)N)OP(=O)(O)OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)O

InChI

InChI=1S/C113H161N29O66P10/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-179-96(144)41-121-209(159,160)180-47-72-62(32-87(191-72)133-25-20-81(114)122-105(133)150)200-211(163,164)186-52-77-67(37-92(196-77)139-43-58(3)100(146)130-111(139)156)205-216(173,174)184-50-75-64(34-89(194-75)135-27-22-83(116)124-107(135)152)202-212(165,166)182-49-74-66(36-91(193-74)137-29-24-85(118)126-109(137)154)204-214(169,170)189-55-80-70(40-95(199-80)142-56-120-97-98(142)127-104(119)128-103(97)149)208-218(177,178)185-51-76-65(35-90(195-76)136-28-23-84(117)125-108(136)153)203-213(167,168)187-53-78-69(39-94(197-78)141-45-60(5)102(148)132-113(141)158)207-217(175,176)188-54-79-68(38-93(198-79)140-44-59(4)101(147)131-112(140)157)206-215(171,172)183-48-73-63(33-88(192-73)134-26-21-82(115)123-106(134)151)201-210(161,162)181-46-71-61(143)31-86(190-71)138-42-57(2)99(145)129-110(138)155/h20-29,42-45,56,61-80,86-95,143H,6-19,30-41,46-55H2,1-5H3,(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H2,114,122,150)(H2,115,123,151)(H2,116,124,152)(H2,117,125,153)(H2,118,126,154)(H2,121,159,160)(H,129,145,155)(H,130,146,156)(H,131,147,157)(H,132,148,158)(H3,119,127,128,149)

InChIKey

ISTCWMMBKCWRTP-UHFFFAOYSA-N

Compound name

[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-(2-hexadecoxy-2-oxoethyl)phosphonamidic acid

Related CIDs

• CID 16130389