![N6-Benzoyl-5'-o-(4,4'-dimethoxytrityl)-3'-o-(N,N-diisopropylamino)-[3-(2-pyridyl)-1-propyloxy]-phosphinyl-2'-deoxyadenosine](/api/spectrum/HprsktZpTaD/structure.png?h=300&w=458 "N6-Benzoyl-5'-o-(4,4'-dimethoxytrityl)-3'-o-(N,N-diisopropylamino)-[3-(2-pyridyl)-1-propyloxy]-phosphinyl-2'-deoxyadenosine")
| SpectraBase Compound ID | 5DoLoxZKpTO |
|---|---|
| InChI | InChI=1S/C52H58N7O7P/c1-36(2)59(37(3)4)67(64-31-15-21-42-20-13-14-30-53-42)66-45-32-47(58-35-56-48-49(54-34-55-50(48)58)57-51(60)38-16-9-7-10-17-38)65-46(45)33-63-52(39-18-11-8-12-19-39,40-22-26-43(61-5)27-23-40)41-24-28-44(62-6)29-25-41/h7-14,16-20,22-30,34-37,45-47H,15,21,31-33H2,1-6H3,(H,54,55,57,60) |
| InChIKey | RYKJUXBUNJFNLW-UHFFFAOYSA-N |
| Mol Weight | 924.1 g/mol |
| Molecular Formula | C52H58N7O7P |
| Exact Mass | 923.413534 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HprsktZpTaD |
|---|---|
| Name | N6-Benzoyl-5'-o-(4,4'-dimethoxytrityl)-3'-o-(N,N-diisopropylamino)-[3-(2-pyridyl)-1-propyloxy]-phosphinyl-2'-deoxyadenosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 923.413534227 u |
| Formula | C52H58N7O7P |
| InChI | InChI=1S/C52H58N7O7P/c1-36(2)59(37(3)4)67(64-31-15-21-42-20-13-14-30-53-42)66-45-32-47(58-35-56-48-49(54-34-55-50(48)58)57-51(60)38-16-9-7-10-17-38)65-46(45)33-63-52(39-18-11-8-12-19-39,40-22-26-43(61-5)27-23-40)41-24-28-44(62-6)29-25-41/h7-14,16-20,22-30,34-37,45-47H,15,21,31-33H2,1-6H3,(H,54,55,57,60) |
| InChIKey | RYKJUXBUNJFNLW-UHFFFAOYSA-N |
| Molecular Weight | 924.052 g/mol |
| SMILES | C1(OC(C(C1)OP(N(C(C)C)C(C)C)OCCCC=1C=CC=CN1)COC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)N1C=NC=2C(=NC=NC12)NC(=O)C1=CC=CC=C1 |