| SpectraBase Compound ID | 2hwCMa5ypBf |
|---|---|
| InChI | InChI=1S/C12H17N5O5S/c1-16-9(21)5-8(15-12(16)23-2)17(11(13)14-5)10-7(20)6(19)4(18)3-22-10/h4,6-7,10,18-20H,3H2,1-2H3,(H2,13,14)/t4-,6+,7-,10-/m0/s1 |
| InChIKey | HCNZUFTYFCPWCS-HUEBKHCJSA-N |
| Mol Weight | 343.36 g/mol |
| Molecular Formula | C12H17N5O5S |
| Exact Mass | 343.09504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ca8v9pySwTw |
|---|---|
| Name | 8-AMINO-9-BETA-D-XYLOPYRANOSYL-1-METHYL-2-(METHYLTHIO)-PURIN-6(1H)-ONE |
| CAS Registry Number | 137363-11-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H17N5O5S |
| InChI | InChI=1S/C12H17N5O5S/c1-16-9(21)5-8(15-12(16)23-2)17(11(13)14-5)10-7(20)6(19)4(18)3-22-10/h4,6-7,10,18-20H,3H2,1-2H3,(H2,13,14)/t4-,6+,7-,10-/m0/s1 |
| InChIKey | HCNZUFTYFCPWCS-HUEBKHCJSA-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 | 343.357 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS2155 |