CID 16186582
Tert-butyldiphenylsilyl
Structural Information
- Molecular Formula
- C76H92N27O34P5Si
- SMILES
- CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OP(=O)(O)OC[C@@H]5[C@H](C[C@@H](O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OC[C@@H]8[C@H](C[C@@H](O8)N9C=NC1=C9N=C(NC1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)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/C76H92N27O34P5Si/c1-34-21-98(75(110)97-66(34)105)50-16-42(48(132-50)27-126-143(76(2,3)4,35-11-7-5-8-12-35)36-13-9-6-10-14-36)137-142(119,120)125-26-47-41(20-54(131-47)103-33-88-59-65(103)92-74(81)96-70(59)109)136-141(117,118)124-25-46-40(19-53(130-46)102-32-87-58-64(102)91-73(80)95-69(58)108)135-140(115,116)123-24-45-39(18-52(129-45)101-31-86-57-63(101)90-72(79)94-68(57)107)134-139(113,114)122-23-44-38(17-51(128-44)99-29-84-55-60(77)82-28-83-61(55)99)133-138(111,112)121-22-43-37(104)15-49(127-43)100-30-85-56-62(100)89-71(78)93-67(56)106/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
- DVFXLNFDWATPMW-IWOKLKJTSA-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(diphenyl)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]+ | 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 |