| SpectraBase Spectrum ID |
8KLHOLXfEeC |
| Name |
8-Amino-9-.beta.-D-xylopyranosyl-2-(methylthio)purin-6-(1H)-one |
| CAS Registry Number |
137363-10-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H15N5O5S |
| InChI |
InChI=1S/C11H15N5O5S/c1-22-11-14-7-4(8(20)15-11)13-10(12)16(7)9-6(19)5(18)3(17)2-21-9/h3,5-6,9,17-19H,2H2,1H3,(H2,12,13)(H,14,15,20)/t3-,5+,6-,9-/m1/s1 |
| InChIKey |
GDRCBFJQUZIOSW-FTWQFJAYSA-N |
| Molecular Weight |
329.331 g/mol |
| SMILES |
N1C(c2c([n]([C@]3([C@@]([C@]([C@@](CO3)(O)[H])(O)[H])(O)[H])[H])c(n2)N)N=C1SC)=O |
| SPLASH |
splash10-0002-0900000000-2050bb2d493f96f85886 |
| Source of Spectrum |
J-57-563-0 |
| Synonyms |
8-amino-2-(methylsulfanyl)-9-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-6,9-dihydro-1H-purin-6-one |
| Wiley ID |
1326913 |
