| SpectraBase Compound ID | KQSuCqquCMX |
|---|---|
| InChI | InChI=1S/C31H61N4O6PSi2/c1-14-16-20-42(38,21-17-15-2)27(32)25-24(40-43(10,11)30(4,5)6)26(41-44(12,13)31(7,8)9)28(39-25)35-19-18-23(33-22(3)36)34-29(35)37/h18-19,24-28H,14-17,20-21,32H2,1-13H3,(H,33,34,36,37)/t24-,25+,26-,27+,28-/m1/s1 |
| InChIKey | PXQKWISKBMWQCE-YTZCDUBRSA-N |
| Mol Weight | 673.0 g/mol |
| Molecular Formula | C31H61N4O6PSi2 |
| Exact Mass | 672.386726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3KipKX2jqgZ |
|---|---|
| Name | 5'S-Amino-5'-di-N-butylphosphinyl-2',3'-di-o-tert.-butyldimethylsilyl-N-(4)-acetyl-cytidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 672.386725762 u |
| Formula | C31H61N4O6PSi2 |
| InChI | InChI=1S/C31H61N4O6PSi2/c1-14-16-20-42(38,21-17-15-2)27(32)25-24(40-43(10,11)30(4,5)6)26(41-44(12,13)31(7,8)9)28(39-25)35-19-18-23(33-22(3)36)34-29(35)37/h18-19,24-28H,14-17,20-21,32H2,1-13H3,(H,33,34,36,37)/t24-,25+,26-,27+,28-/m1/s1 |
| InChIKey | PXQKWISKBMWQCE-YTZCDUBRSA-N |
| Molecular Weight | 672.995 g/mol |
| SMILES | [C@@]1(O[C@@]([C@]([C@]1(O[Si](C(C)(C)C)(C)C)[H])(O[Si](C(C)(C)C)(C)C)[H])([C@](P(=O)(CCCC)CCCC)(N)[H])[H])(N1C=CC(NC(=O)C)=NC1=O)[H] |