![2',3'-DI-O-ACETYL-5'-R-FLUORO-5'-[(4-METHOXYPHENYL)-SULFINYL-(R/S)S]-ADENOSINE](/api/spectrum/FicQzZ5E4TH/structure.png?h=300&w=458 "2',3'-DI-O-ACETYL-5'-R-FLUORO-5'-[(4-METHOXYPHENYL)-SULFINYL-(R/S)S]-ADENOSINE")
| SpectraBase Compound ID | 7A88Q5fNukH |
|---|---|
| InChI | InChI=1S/2C21H22FN5O7S/c2*1-10(28)32-15-16(18(22)35(30)13-6-4-12(31-3)5-7-13)34-21(17(15)33-11(2)29)27-9-26-14-19(23)24-8-25-20(14)27/h2*4-9,15-18,21H,1-3H3,(H2,23,24,25)/t15-,16+,17-,18+,21-,35?;15-,16+,17-,18-,21-,35?/m00/s1 |
| InChIKey | BMQXMODIETXHEW-WTIZQBPRSA-N |
| Mol Weight | 1014.99 g/mol |
| Molecular Formula | C42H44F2N10O14S2 |
| Exact Mass | 1014.244795 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FicQzZ5E4TH |
|---|---|
| Name | 2',3'-DI-O-ACETYL-5'-R-FLUORO-5'-[(4-METHOXYPHENYL)-SULFINYL-(R/S)S]-ADENOSINE |
| Compound Number | 7E-(5'-R,(R/S)S) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H44F2N10O14S2 |
| InChI | InChI=1S/2C21H22FN5O7S/c2*1-10(28)32-15-16(18(22)35(30)13-6-4-12(31-3)5-7-13)34-21(17(15)33-11(2)29)27-9-26-14-19(23)24-8-25-20(14)27/h2*4-9,15-18,21H,1-3H3,(H2,23,24,25)/t15-,16+,17-,18+,21-,35?;15-,16+,17-,18-,21-,35?/m00/s1 |
| InChIKey | BMQXMODIETXHEW-WTIZQBPRSA-N |
| Literature Reference Author | M.J.ROBINS,S.F.WNUK,K.B.MULLAH,N.K.DALLEY,C.S.YUAN,Y.LEE,R.T .BORCHARDT |
| Literature Reference Citation | J.ORG.CHEM.,59,544(1994) |
| Literature Reference DOI | 10.1021/jo00082a010 |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ2448 |