CID 16186584
5'-tgggag-3'-(tert-butyldimethylsilyl)-
Structural Information
- Molecular Formula
- C76H92N27O34P5Si
- SMILES
- CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)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[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C
- InChI
- InChI=1S/C76H92N27O34P5Si/c1-34-21-98(75(110)97-66(34)105)49-15-37(43(22-104)126-49)132-138(111,112)121-24-45-39(17-51(128-45)100-30-85-56-62(100)89-71(78)93-67(56)106)134-140(115,116)123-26-47-41(19-53(130-47)102-32-87-58-64(102)91-73(80)95-69(58)108)136-141(117,118)124-25-46-40(18-52(129-46)101-31-86-57-63(101)90-72(79)94-68(57)107)135-139(113,114)122-23-44-38(16-50(127-44)99-29-84-55-60(77)82-28-83-61(55)99)133-142(119,120)125-27-48-42(20-54(131-48)103-33-88-59-65(103)92-74(81)96-70(59)109)137-143(76(2,3)4,35-11-7-5-8-12-35)36-13-9-6-10-14-36/h5-14,21,28-33,37-54,104H,15-20,22-27H2,1-4H3,(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H2,77,82,83)(H,97,105,110)(H3,78,89,93,106)(H3,79,90,94,107)(H3,80,91,95,108)(H3,81,92,96,109)/t37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50?,51+,52+,53+,54+/m0/s1
- InChIKey
- GFMGBPBKSORZOP-UIKVAUGRSA-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-[tert-butyl(diphenyl)silyl]oxyoxolan-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-(hydroxymethyl)-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]+ | 2110.4831 | 234.7 |
[M+Na]+ | 2132.4650 | 245.7 |
[M-H]- | 2108.4685 | 233.6 |
[M+NH4]+ | 2127.5096 | 238.3 |
[M+K]+ | 2148.4390 | 242.4 |
[M+H-H2O]+ | 2092.4731 | 232.9 |
[M+HCOO]- | 2154.4740 | 239.3 |
[M+CH3COO]- | 2168.4897 | 241.1 |
[M+Na-2H]- | 2130.4505 | 241.4 |
[M]+ | 2109.4753 | 244.8 |
[M]- | 2109.4763 | 244.8 |
Literature stripe
Patent stripe
No patent data available for this compound.