| SpectraBase Compound ID | KRYdQTAtCdV |
|---|---|
| InChI | InChI=1S/C49H59N4O10P/c1-33(2)53(34(3)4)64(58-7)63-44-41(32-60-49(36-18-12-9-13-19-36,37-21-25-39(56-5)26-22-37)38-23-27-40(57-6)28-24-38)61-47(45(44)62-43-20-14-15-31-59-43)52-30-29-42(51-48(52)55)50-46(54)35-16-10-8-11-17-35/h8-13,16-19,21-30,33-34,41,43-45,47H,14-15,20,31-32H2,1-7H3,(H,50,51,54,55)/t41-,43?,44-,45-,47-,64?/m1/s1 |
| InChIKey | DHFXGZLJCDCTHL-LVRZPOBZSA-N |
| Mol Weight | 895.0 g/mol |
| Molecular Formula | C49H59N4O10P |
| Exact Mass | 894.396881 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2FhzvixDBmA |
|---|---|
| Name | 5'-o-Dimethoxytrityl-2'-o-tetrahydropyranyl-N4-benzoylcytidine-3'-methyldiisopropylamidophosphite |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 894.396881104 u |
| Formula | C49H59N4O10P |
| InChI | InChI=1S/C49H59N4O10P/c1-33(2)53(34(3)4)64(58-7)63-44-41(32-60-49(36-18-12-9-13-19-36,37-21-25-39(56-5)26-22-37)38-23-27-40(57-6)28-24-38)61-47(45(44)62-43-20-14-15-31-59-43)52-30-29-42(51-48(52)55)50-46(54)35-16-10-8-11-17-35/h8-13,16-19,21-30,33-34,41,43-45,47H,14-15,20,31-32H2,1-7H3,(H,50,51,54,55)/t41-,43?,44-,45-,47-,64?/m1/s1 |
| InChIKey | DHFXGZLJCDCTHL-LVRZPOBZSA-N |
| Molecular Weight | 895.003 g/mol |
| SMILES | N(C=1C=CN([C@@]2(O[C@@]([C@]([C@]2(OC2OCCCC2)[H])(OP(N(C(C)C)C(C)C)OC)[H])(COC(c2ccc(cc2)OC)(c2ccc(cc2)OC)c2ccccc2)[H])[H])C(=O)N1)C(c1ccccc1)=O |