CID 16186583
(tert-butyldimethylsilyl)-5'-tgggag-3'
Structural Information
- Molecular Formula
- C66H88N27O34P5Si
- SMILES
- CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C4N=C(NC5=O)N)OP(=O)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OC[C@@H]9[C@H](C[C@@H](O9)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C66H88N27O34P5Si/c1-26-13-88(65(100)87-56(26)95)40-8-32(38(122-40)19-116-133(5,6)66(2,3)4)127-132(109,110)115-18-37-31(12-44(121-37)93-25-78-49-55(93)82-64(71)86-60(49)99)126-131(107,108)114-17-36-30(11-43(120-36)92-24-77-48-54(92)81-63(70)85-59(48)98)125-130(105,106)113-16-35-29(10-42(119-35)91-23-76-47-53(91)80-62(69)84-58(47)97)124-129(103,104)112-15-34-28(9-41(118-34)89-21-74-45-50(67)72-20-73-51(45)89)123-128(101,102)111-14-33-27(94)7-39(117-33)90-22-75-46-52(90)79-61(68)83-57(46)96/h13,20-25,27-44,94H,7-12,14-19H2,1-6H3,(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H2,67,72,73)(H,87,95,100)(H3,68,79,83,96)(H3,69,80,84,97)(H3,70,81,85,98)(H3,71,82,86,99)/t27-,28-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41?,42+,43+,44+/m0/s1
- InChIKey
- JAAOFNOOAOCUHO-MFRKVYQBSA-N
- Compound name
- [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S)-3-[[(2R,3S,5R)-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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1986.4518 | 247.0 |
[M+Na]+ | 2008.4337 | 257.1 |
[M-H]- | 1984.4372 | 244.6 |
[M+NH4]+ | 2003.4783 | 249.7 |
[M+K]+ | 2024.4077 | 254.4 |
[M+H-H2O]+ | 1968.4418 | 244.9 |
[M+HCOO]- | 2030.4427 | 250.4 |
[M+CH3COO]- | 2044.4584 | 252.1 |
[M+Na-2H]- | 2006.4192 | 249.5 |
[M]+ | 1985.4440 | 253.4 |
[M]- | 1985.4450 | 253.4 |
Literature stripe
Patent stripe
No patent data available for this compound.