| SpectraBase Compound ID | FxUwjDwYBCo |
|---|---|
| InChI | InChI=1S/C48H60N5O14PSi2/c1-28(2)69(29(3)4)60-25-36-39(66-70(67-69,30(5)6)31(7)8)40(45(61-36)53-27-51-37-42(49-26-50-43(37)53)52-44(54)32-18-12-9-13-19-32)65-48-41(64-47(56)34-22-16-11-17-23-34)38(35(62-48)24-59-68(57)58)63-46(55)33-20-14-10-15-21-33/h9-23,26-31,35-36,38-41,45,48,68H,24-25H2,1-8H3,(H,57,58)(H,49,50,52,54)/t35-,36+,38-,39+,40+,41-,45+,48+/m0/s1 |
| InChIKey | ZQISTJBHEAJWGG-UTMVDJJZSA-N |
| Mol Weight | 1018.2 g/mol |
| Molecular Formula | C48H60N5O14PSi2 |
| Exact Mass | 1017.341292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUFuxIQMT5w |
|---|---|
| Name | 6-N-Benzoyl-3',5'-o-(tetraisopropyldisiloxane-1,3-diyl)-2'-o-(5''-H-phosphonate-2'',3''-di-o-benzoyl-beta-D-ribofuranosyl)-adenosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1017.341291686 u |
| Formula | C48H60N5O14PSi2 |
| InChI | InChI=1S/C48H60N5O14PSi2/c1-28(2)69(29(3)4)60-25-36-39(66-70(67-69,30(5)6)31(7)8)40(45(61-36)53-27-51-37-42(49-26-50-43(37)53)52-44(54)32-18-12-9-13-19-32)65-48-41(64-47(56)34-22-16-11-17-23-34)38(35(62-48)24-59-68(57)58)63-46(55)33-20-14-10-15-21-33/h9-23,26-31,35-36,38-41,45,48,68H,24-25H2,1-8H3,(H,57,58)(H,49,50,52,54)/t35-,36+,38-,39+,40+,41-,45+,48+/m0/s1 |
| InChIKey | ZQISTJBHEAJWGG-UTMVDJJZSA-N |
| Molecular Weight | 1018.173 g/mol |
| Nominal Mass | 1017 u |
| SMILES | [C@]12(O[Si](O[Si](OC[C@]1(O[C@]([C@@]2(O[C@@]1([C@]([C@]([C@@](O1)(COP(=O)O)[H])(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C1=CC=CC=C1)[H])[H])[H])(N1C=2N=CN=C(C2N=C1)NC(=O)C1=CC=CC=C1)[H])[H])(C(C)C)C(C)C)(C(C)C)C(C)C)[H] |