| SpectraBase Spectrum ID |
3MnHmHzENMl |
| Name |
9-(5-S-Methyl-5-thio-2,3-di-O-acetyl-.beta.-D-arabinofuranosyl)adenine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H19N5O5S |
| InChI |
InChI=1S/C15H19N5O5S/c1-7(21)23-11-9(4-26-3)25-15(12(11)24-8(2)22)20-6-19-10-13(16)17-5-18-14(10)20/h5-6,9,11-12,15H,4H2,1-3H3,(H2,16,17,18)/t9-,11-,12+,15-/m1/s1 |
| InChIKey |
DXQNSDOONUEPIA-ADGXKJENSA-N |
| Molecular Weight |
381.407 g/mol |
| SMILES |
Nc1c2c([n]([C@]3([C@]([C@](OC(=O)C)([C@](O3)(CSC)[H])[H])(OC(=O)C)[H])[H])cn2)ncn1 |
| SPLASH |
splash10-000i-0900000000-5fb69a57c51ce91273ca |
| Source of Spectrum |
E1-40-1614-9 |
| Synonyms |
(2S,3S,4S,5R)-4-(acetyloxy)-5-(6-amino-9H-purin-9-yl)-2-[(methylsulfanyl)methyl]oxolan-3-yl acetate
acetic acid [(2S,3S,4S,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-[(methylthio)methyl]-3-oxolanyl] ester
[(2S,3S,4S,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)oxolan-3-yl] acetate
[(2S,3S,4S,5R)-4-acetoxy-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)tetrahydrofuran-3-yl] acetate
[(2S,3S,4S,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)oxolan-3-yl] ethanoate |
| Wiley ID |
1599287 |
