| SpectraBase Compound ID | BS2sSzsd7LP |
|---|---|
| InChI | InChI=1S/C27H35N2O7PSi.C6H15N/c1-19-17-29(26(31)28-25(19)30)24-16-22(36-37(5,32)33)23(35-24)18-34-38(27(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21;1-4-7(5-2)6-3/h6-15,17,22-24H,16,18H2,1-5H3,(H,32,33)(H,28,30,31);4-6H2,1-3H3/t22-,23+,24+;/m1./s1 |
| InChIKey | MRYSUSCXKMLXKM-ZNBHNGSHSA-N |
| Mol Weight | 659.8 g/mol |
| Molecular Formula | C33H50N3O7PSi |
| Exact Mass | 659.315564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wuXm3mQA4H |
|---|---|
| Name | 5'-o-(Tert.-butyldiphenylsilyl)-thymidine-3'-o-(methylphosphonate)-triethylammonium-salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 659.315564488 u |
| Formula | C33H50N3O7PSi |
| InChI | InChI=1S/C27H35N2O7PSi.C6H15N/c1-19-17-29(26(31)28-25(19)30)24-16-22(36-37(5,32)33)23(35-24)18-34-38(27(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21;1-4-7(5-2)6-3/h6-15,17,22-24H,16,18H2,1-5H3,(H,32,33)(H,28,30,31);4-6H2,1-3H3/t22-,23+,24+;/m1./s1 |
| InChIKey | MRYSUSCXKMLXKM-ZNBHNGSHSA-N |
| Molecular Weight | 659.836 g/mol |
| SMILES | C([NH+](CC)CC)C.[C@]1(N2C(=O)NC(=O)C(C)=C2)(C[C@@](OP(=O)(C)[O-])([C@@](O1)(CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)[H])[H])[H] |