| SpectraBase Spectrum ID |
3MZgmBmnzXv |
| Name |
Adenosine, 2-chloro-, 2',3',5'-triacetate |
| CAS Registry Number |
79999-39-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18ClN5O7 |
| InChI |
InChI=1S/C16H18ClN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(18)20-16(17)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H2,18,20,21)/t9-,11-,12-,15-/m1/s1 |
| InChIKey |
IMTFOTCIQPKKSP-SDBHATRESA-N |
| Molecular Weight |
427.801 g/mol |
| SMILES |
Nc1c2c([n]([C@]3([C@@]([C@](OC(=O)C)([C@](O3)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H])cn2)nc(n1)Cl |
| SPLASH |
splash10-0a4i-0090000000-46fd576778156ace44a5 |
| Source of Spectrum |
I-59-2605-0 |
| Synonyms |
2',3',5'-tri-O-acetyl-2-chloroadenosine
[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(6-amino-2-chloro-9H-purin-9-yl)oxolan-2-yl]methyl acetate
acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-amino-2-chloro-9-purinyl)-2-oxolanyl]methyl ester
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate
[(2R,3R,4R,5R)-3,4-diacetoxy-5-(6-amino-2-chloro-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-azanyl-2-chloranyl-purin-9-yl)oxolan-2-yl]methyl ethanoate |
| Wiley ID |
1380321 |
