| SpectraBase Spectrum ID |
2DqTn5HE7QV |
| Name |
9H-Purine, 2-(methylthio)-9-(2,3,5-tri-O-acetyl-.beta.-D-ribofuranosyl)- |
| Alternate Name(s) |
2-Methylmercapto-9-(2,3,5-tri-O-acetyl.beta.-D-ribofuranosyl)purine
[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-[2-(methylsulfanyl)-9H-purin-9-yl]oxolan-2-yl]methyl acetate |
| CAS Registry Number |
107037-25-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20N4O7S |
| InChI |
InChI=1S/C17H20N4O7S/c1-8(22)25-6-12-13(26-9(2)23)14(27-10(3)24)16(28-12)21-7-19-11-5-18-17(29-4)20-15(11)21/h5,7,12-14,16H,6H2,1-4H3/t12-,13-,14-,16-/m1/s1 |
| InChIKey |
ANSPRUDFZVLCKJ-IXYNUQLISA-N |
| Molecular Weight |
424.428 g/mol |
| SMILES |
[C@@]1([n]2c3nc(SC)ncc3nc2)([C@@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H] |
| SPLASH |
splash10-014i-0900500000-aabd04f7a1e50c618d8c |
| Source of Spectrum |
F-44-7003-2 |
| Wiley ID |
1379086 |
