| SpectraBase Compound ID | KvPMEJiqD4V |
|---|---|
| InChI | InChI=1S/C12H13N5O7S/c1-5(18)21-2-6-8-9(24-25(19,20)23-8)12(22-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12H,2H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | TZVZANPXLJXVID-WOUKDFQISA-N |
| Mol Weight | 371.32 g/mol |
| Molecular Formula | C12H13N5O7S |
| Exact Mass | 371.053569 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3gfSmwRFnNY |
|---|---|
| Name | 5'-O-(Acetyl)-2',3'-O-sulfonyladenosine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13N5O7S |
| InChI | InChI=1S/C12H13N5O7S/c1-5(18)21-2-6-8-9(24-25(19,20)23-8)12(22-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12H,2H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | TZVZANPXLJXVID-WOUKDFQISA-N |
| Molecular Weight | 371.324 g/mol |
| SMILES | Nc1c2c([n]([C@]3([C@]4([C@](OS(O4)(=O)=O)([C@](O3)(COC(=O)C)[H])[H])[H])[H])cn2)ncn1 |
| SPLASH | splash10-03di-0900000000-40147399ef0025d20fd8 |
| Source of Spectrum | J-63-7380-6 |
| Synonyms | [(3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dioxidotetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]methyl acetate Acetic acid [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dioxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl ester [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dioxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl acetate [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-bis(oxidanylidene)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl ethanoate |
| Wiley ID | 1354817 |