CID 16133570
5'-d[ttggggttgggg]-3' phosphorothioate oligonucleotide
Structural Information
- Molecular Formula
- C120H149N48O63P11S11
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=S)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C9N=C(NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S
- InChI
- InChI=1S/C120H149N48O63P11S11/c1-41-17-157(117(183)153-97(41)171)70-6-46(57(21-169)209-70)221-233(188,244)199-23-59-47(7-71(211-59)158-18-42(2)98(172)154-118(158)184)223-235(190,246)202-27-63-52(12-76(215-63)164-36-132-84-92(164)140-112(124)148-104(84)178)227-240(195,251)207-31-67-56(16-80(219-67)168-40-136-88-96(168)144-116(128)152-108(88)182)231-242(197,253)208-32-68-55(15-79(220-68)167-39-135-87-95(167)143-115(127)151-107(87)181)230-241(196,252)205-29-65-51(11-75(217-65)163-35-131-83-91(163)139-111(123)147-103(83)177)226-237(192,248)201-25-61-48(8-72(213-61)159-19-43(3)99(173)155-119(159)185)222-234(189,245)200-24-60-49(9-73(212-60)160-20-44(4)100(174)156-120(160)186)224-236(191,247)203-28-64-53(13-77(216-64)165-37-133-85-93(165)141-113(125)149-105(85)179)228-239(194,250)206-30-66-54(14-78(218-66)166-38-134-86-94(166)142-114(126)150-106(86)180)229-238(193,249)204-26-62-50(10-74(214-62)162-34-130-82-90(162)138-110(122)146-102(82)176)225-232(187,243)198-22-58-45(170)5-69(210-58)161-33-129-81-89(161)137-109(121)145-101(81)175/h17-20,33-40,45-80,169-170H,5-16,21-32H2,1-4H3,(H,187,243)(H,188,244)(H,189,245)(H,190,246)(H,191,247)(H,192,248)(H,193,249)(H,194,250)(H,195,251)(H,196,252)(H,197,253)(H,153,171,183)(H,154,172,184)(H,155,173,185)(H,156,174,186)(H3,121,137,145,175)(H3,122,138,146,176)(H3,123,139,147,177)(H3,124,140,148,178)(H3,125,141,149,179)(H3,126,142,150,180)(H3,127,143,151,181)(H3,128,144,152,182)
- InChIKey
- GLLPKPBZJYBZQW-UHFFFAOYSA-N
- Compound name
- 1-[4-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3963.4045 | 309.3 |
[M+Na]+ | 3985.3864 | 309.8 |
[M-H]- | 3961.3899 | 309.4 |
[M+NH4]+ | 3980.4310 | 309.5 |
[M+K]+ | 4001.3604 | 309.5 |
[M+H-H2O]+ | 3945.3945 | 309.3 |
[M+HCOO]- | 4007.3954 | 309.5 |
[M+CH3COO]- | 4021.4111 | 309.5 |
[M+Na-2H]- | 3983.3719 | 310.0 |
[M]+ | 3962.3967 | 309.8 |
[M]- | 3962.3977 | 309.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.