![RAC-5'-[(ACETYLTHIO)-METHYL]-N(6)-BENZOYL-2',3',5'-TRIDEOXY-3'-(HYDROXYMETHYL)-1'-A-CARBAADENOSINE;S-(C-4-5'-(METHOXYCARBONYL)-T-2](/api/spectrum/1OgxEOmIUp8/structure.png?h=300&w=458 "RAC-5'-[(ACETYLTHIO)-METHYL]-N(6)-BENZOYL-2',3',5'-TRIDEOXY-3'-(HYDROXYMETHYL)-1'-A-CARBAADENOSINE;S-(C-4-5'-(METHOXYCARBONYL)-T-2")
| SpectraBase Compound ID | I3onhPowrrv |
|---|---|
| InChI | InChI=1S/C22H25N5O3S/c1-14(29)31-8-7-16-9-18(10-17(16)11-28)27-13-25-19-20(23-12-24-21(19)27)26-22(30)15-5-3-2-4-6-15/h2-6,12-13,16-18,28H,7-11H2,1H3,(H,23,24,26,30)/t16-,17+,18+/m0/s1 |
| InChIKey | HLGLRFLNXHQGSE-RCCFBDPRSA-N |
| Mol Weight | 439.53 g/mol |
| Molecular Formula | C22H25N5O3S |
| Exact Mass | 439.167811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OgxEOmIUp8 |
|---|---|
| Name | RAC-5'-[(ACETYLTHIO)-METHYL]-N(6)-BENZOYL-2',3',5'-TRIDEOXY-3'-(HYDROXYMETHYL)-1'-A-CARBAADENOSINE;S-(C-4-5'-(METHOXYCARBONYL)-T-2 |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H25N5O3S |
| InChI | InChI=1S/C22H25N5O3S/c1-14(29)31-8-7-16-9-18(10-17(16)11-28)27-13-25-19-20(23-12-24-21(19)27)26-22(30)15-5-3-2-4-6-15/h2-6,12-13,16-18,28H,7-11H2,1H3,(H,23,24,26,30)/t16-,17+,18+/m0/s1 |
| InChIKey | HLGLRFLNXHQGSE-RCCFBDPRSA-N |
| Literature Reference Author | T.F.JENNY |
| Literature Reference Citation | HELV.CHIM.ACTA,76,248(1993) |
| Literature Reference DOI | 10.1002/hlca.19930760118 |
| Molecular Weight | 439.532 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS21132 |