CID 16204645
5'-gcgggcg-3'
Structural Information
- Molecular Formula
- C68H86N31O36P7S7
- SMILES
- C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=O)(OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C68H86N31O36P7S7/c69-38-1-3-93(67(106)81-38)41-6-25(130-137(110,144)117-12-31-24(100)5-40(123-31)95-19-76-47-52(95)83-62(71)88-57(47)101)33(124-41)14-119-140(113,147)133-28-9-44(97-21-78-49-54(97)85-64(73)90-59(49)103)128-36(28)17-121-142(115,149)135-30-11-46(99-23-80-51-56(99)87-66(75)92-61(51)105)129-37(30)18-122-141(114,148)134-29-10-45(98-22-79-50-55(98)86-65(74)91-60(50)104)127-35(29)16-120-138(111,145)131-26-7-42(94-4-2-39(70)82-68(94)107)125-34(26)15-118-139(112,146)132-27-8-43(126-32(27)13-116-136(108,109)143)96-20-77-48-53(96)84-63(72)89-58(48)102/h1-4,19-37,40-46,100H,5-18H2,(H,110,144)(H,111,145)(H,112,146)(H,113,147)(H,114,148)(H,115,149)(H2,69,81,106)(H2,70,82,107)(H2,108,109,143)(H3,71,83,88,101)(H3,72,84,89,102)(H3,73,85,90,103)(H3,74,86,91,104)(H3,75,87,92,105)
- InChIKey
- SYRRQUYEWHIYIG-UHFFFAOYSA-N
- Compound name
- 2-amino-9-[5-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2354.2133 | 280.0 |
[M+Na]+ | 2376.1952 | 290.0 |
[M-H]- | 2352.1987 | 280.4 |
[M+NH4]+ | 2371.2398 | 283.5 |
[M+K]+ | 2392.1692 | 285.9 |
[M+H-H2O]+ | 2336.2033 | 280.8 |
[M+HCOO]- | 2398.2042 | 283.7 |
[M+CH3COO]- | 2412.2199 | 284.4 |
[M+Na-2H]- | 2374.1807 | 286.3 |
[M]+ | 2353.2055 | 290.2 |
[M]- | 2353.2065 | 290.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.