| SpectraBase Spectrum ID |
B7rfaLzKP2C |
| Name |
2'-O-Acetyl-3'-deoxy-5'-fluoro-5'-(4-methoxyphenyl)adenosine |
| Alternate Name(s) |
Acetic acid 2-(6-amino-purin-9-yl)-5-[fluoro-(4-methoxy-phenylsulfanyl)-methyl]-tetrahydro-furan-3-yl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H20FN5O4S |
| InChI |
InChI=1S/C19H20FN5O4S/c1-10(26)28-14-7-13(16(20)30-12-5-3-11(27-2)4-6-12)29-19(14)25-9-24-15-17(21)22-8-23-18(15)25/h3-6,8-9,13-14,16,19H,7H2,1-2H3,(H2,21,22,23) |
| InChIKey |
ISAQEWOUCFAFDH-UHFFFAOYSA-N |
| Molecular Weight |
433.458 g/mol |
| SMILES |
Nc1c2c([n](C3OC(C(Sc4ccc(cc4)OC)F)CC3OC(=O)C)cn2)ncn1 |
| SPLASH |
splash10-000i-0900000000-d16035dfacbc77ad4b98 |
| Source of Spectrum |
J-63-1208-10 |
| Wiley ID |
1382616 |
