| SpectraBase Compound ID | IHmX41yZW87 |
|---|---|
| InChI | InChI=1S/C12H13N5O6S/c1-5(18)20-2-6-8-9(23-24(19)22-8)12(21-6)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-,24?/m1/s1 |
| InChIKey | GXWSMLOEPUCPEU-HDKUUKELSA-N |
| Mol Weight | 355.33 g/mol |
| Molecular Formula | C12H13N5O6S |
| Exact Mass | 355.058654 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BHpXKoXNfH7 |
|---|---|
| Name | 5'-O-(Acetyl)-2',3'-O-sulfinyladenosine |
| Alternate Name(s) | [(3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]methyl acetate acetic acid [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxo-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-oxo-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-oxidanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl ethanoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13N5O6S |
| InChI | InChI=1S/C12H13N5O6S/c1-5(18)20-2-6-8-9(23-24(19)22-8)12(21-6)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-,24?/m1/s1 |
| InChIKey | GXWSMLOEPUCPEU-HDKUUKELSA-N |
| Molecular Weight | 355.325 g/mol |
| SMILES | Nc1c2c([n]([C@]3([C@]4([C@](OS(O4)=O)([C@](O3)(COC(=O)C)[H])[H])[H])[H])cn2)ncn1 |
| SPLASH | splash10-0a4r-0509000000-052c37bd3d70f7604545 |
| Source of Spectrum | J-63-7379-4 |
| Wiley ID | 1345085 |