![2',5'-di[O-t-Butyldimethylsilyl]-3'-deoxy-3'-[2"-phenylthioethyl]-Adenosine](/api/spectrum/2RTHn04pChr/structure.png?h=300&w=458 "2',5'-di[O-t-Butyldimethylsilyl]-3'-deoxy-3'-[2\"-phenylthioethyl]-Adenosine")
| SpectraBase Compound ID | 40gtZJRieG9 |
|---|---|
| InChI | InChI=1S/C30H49N5O3SSi2/c1-29(2,3)40(7,8)36-18-23-22(16-17-39-21-14-12-11-13-15-21)25(38-41(9,10)30(4,5)6)28(37-23)35-20-34-24-26(31)32-19-33-27(24)35/h11-15,19-20,22-23,25,28H,16-18H2,1-10H3,(H2,31,32,33)/t22-,23-,25-,28-/m1/s1 |
| InChIKey | FBEANMBTXMBXLP-QMHRWYJISA-N |
| Mol Weight | 616.0 g/mol |
| Molecular Formula | C30H49N5O3SSi2 |
| Exact Mass | 615.309465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2RTHn04pChr |
|---|---|
| Name | 2',5'-di[o-T-Butyldimethylsilyl]-3'-deoxy-3'-[2''-phenylthioethyl]-adenosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 615.309464699 u |
| Formula | C30H49N5O3SSi2 |
| InChI | InChI=1S/C30H49N5O3SSi2/c1-29(2,3)40(7,8)36-18-23-22(16-17-39-21-14-12-11-13-15-21)25(38-41(9,10)30(4,5)6)28(37-23)35-20-34-24-26(31)32-19-33-27(24)35/h11-15,19-20,22-23,25,28H,16-18H2,1-10H3,(H2,31,32,33)/t22-,23-,25-,28-/m1/s1 |
| InChIKey | FBEANMBTXMBXLP-QMHRWYJISA-N |
| Molecular Weight | 615.984 g/mol |
| SMILES | [C@@]1(N2C3=C(C(N)=NC=N3)N=C2)([C@](O[Si](C(C)(C)C)(C)C)([C@](CCSC=2C=CC=CC2)([C@](O1)(CO[Si](C(C)(C)C)(C)C)[H])[H])[H])[H] |