| SpectraBase Spectrum ID |
BLXlvErvRXG |
| Name |
9-(5,6-Dideoxy-2,3-O-isopropylidene-6-(p-toluenesulfonyl)-.beta.-D-erythro-hex-4(Z)-enofuranosyl)adenine |
| Alternate Name(s) |
9-[(3aS,6S,6aS)-2,2-dimethyl-6-[(Z)-2-[(4-methylbenzene)sulfonyl]ethenyl]-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-9H-purin-6-amine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23N5O5S |
| InChI |
InChI=1S/C21H23N5O5S/c1-12-4-6-13(7-5-12)32(27,28)9-8-14-16-17(31-21(2,3)30-16)20(29-14)26-11-25-15-18(22)23-10-24-19(15)26/h4-11,14,16-17,20H,1-3H3,(H2,22,23,24)/b9-8-/t14-,16-,17-,20?/m0/s1 |
| InChIKey |
WBMYWBBPAGJEEA-AEVCGTTMSA-N |
| Molecular Weight |
457.505 g/mol |
| SMILES |
Nc1c2c([n](C3[C@@]4([C@@](OC(O4)(C)C)([C@@](O3)(\C=C/S(c3ccc(cc3)C)(=O)=O)[H])[H])[H])cn2)ncn1 |
| SPLASH |
splash10-0udi-0009000000-b58dbe27f8aedc0812ae |
| Source of Spectrum |
I-69-337-7 |
| Wiley ID |
1389601 |
