SpectraBase Spectrum ID |
5A0IKZ6jAyV |
Name |
9-[3.beta.-Acetamido-2.beta.-hydroxy-4.alpha.-(hydroxymethyl)cyclopent-1.alpha.-yl]adenine |
CAS Registry Number |
61914-33-8 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C13H18N6O3 |
InChI |
InChI=1S/C13H18N6O3/c1-6(21)18-9-7(3-20)2-8(11(9)22)19-5-17-10-12(14)15-4-16-13(10)19/h4-5,7-9,11,20,22H,2-3H2,1H3,(H,18,21)(H2,14,15,16)/t7-,8-,9-,11+/m0/s1 |
InChIKey |
YUNMEALZTPODKV-FTYOSLGDSA-N |
Molecular Weight |
306.326 g/mol |
SMILES |
Nc1c2c([n]([C@@]3([C@]([C@]([C@@](C3)(CO)[H])(NC(=O)C)[H])(O)[H])[H])cn2)ncn1 |
SPLASH |
splash10-000i-0900000000-2af920b51dfba2ac4a29 |
Source of Spectrum |
J-43-2319-0 |
Synonyms |
N-[(1S,2S,3S,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentyl]acetamide |
Wiley ID |
1307729 |