| SpectraBase Compound ID | HUUZoHHb9Zt |
|---|---|
| InChI | InChI=1S/C12H17N5O6S/c1-24-12-15-8-4(9(22)16-12)14-11(13)17(8)10-7(21)6(20)5(19)3(2-18)23-10/h3,5-7,10,18-21H,2H2,1H3,(H2,13,14)(H,15,16,22)/t3-,5-,6+,7-,10-/m0/s1 |
| InChIKey | ZQRNZCAZNTVNPW-NHZCOTRXSA-N |
| Mol Weight | 359.36 g/mol |
| Molecular Formula | C12H17N5O6S |
| Exact Mass | 359.089954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xdFM4HRp6V |
|---|---|
| Name | 8-AMINO-9-BETA-D-GLUCOPYRANOSYL-2-(METHYLTHIO)-PURIN-6(1H)-ONE |
| CAS Registry Number | 137433-68-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H17N5O6S |
| InChI | InChI=1S/C12H17N5O6S/c1-24-12-15-8-4(9(22)16-12)14-11(13)17(8)10-7(21)6(20)5(19)3(2-18)23-10/h3,5-7,10,18-21H,2H2,1H3,(H2,13,14)(H,15,16,22)/t3-,5-,6+,7-,10-/m0/s1 |
| InChIKey | ZQRNZCAZNTVNPW-NHZCOTRXSA-N |
| Literature Reference Author | M.MELGUIZO,M.NOGUERAS,A.SANCHEZ |
| Literature Reference Citation | J.ORG.CHEM.,57,559(1992) |
| Literature Reference DOI | 10.1021/jo00028a031 |
| Molecular Weight | 359.357 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS2152 |