![(S)-3-[9-(BETA-D-RIBOFURANOSYL)-PURIN-6-YL]-2-AMINO-PROPANOIC-ACID-MONOHYDRATE](/api/spectrum/9l7dAzEX8SY/structure.png?h=300&w=458 "(S)-3-[9-(BETA-D-RIBOFURANOSYL)-PURIN-6-YL]-2-AMINO-PROPANOIC-ACID-MONOHYDRATE")
| SpectraBase Compound ID | KDixx8myhpa |
|---|---|
| InChI | InChI=1S/C13H17N5O6.H2O/c14-5(13(22)23)1-6-8-11(16-3-15-6)18(4-17-8)12-10(21)9(20)7(2-19)24-12;/h3-5,7,9-10,12,19-21H,1-2,14H2,(H,22,23);1H2/t5-,7+,9+,10+,12+;/m0./s1 |
| InChIKey | UUSYESZSXQCXAP-GDMOOPFGSA-N |
| Mol Weight | 357.32 g/mol |
| Molecular Formula | C13H19N5O7 |
| Exact Mass | 357.128448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9l7dAzEX8SY |
|---|---|
| Name | (S)-3-[9-(BETA-D-RIBOFURANOSYL)-PURIN-6-YL]-2-AMINO-PROPANOIC-ACID-MONOHYDRATE |
| Compound Number | (S)-11C |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H19N5O7 |
| InChI | InChI=1S/C13H17N5O6.H2O/c14-5(13(22)23)1-6-8-11(16-3-15-6)18(4-17-8)12-10(21)9(20)7(2-19)24-12;/h3-5,7,9-10,12,19-21H,1-2,14H2,(H,22,23);1H2/t5-,7+,9+,10+,12+;/m0./s1 |
| InChIKey | UUSYESZSXQCXAP-GDMOOPFGSA-N |
| Literature Reference Author | P.CAPEK,R.POHL,M.HOCEK |
| Literature Reference Citation | J.ORG.CHEM.,69,7985(2004) |
| Literature Reference DOI | 10.1021/jo048812r |
| Molecular Weight | 357.323 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN22735 |