| SpectraBase Compound ID | 39Q8swxBgF7 |
|---|---|
| InChI | InChI=1S/C23H33N10O15P3S2/c1-52-22-28-16(24)10-18(30-22)32(5-26-10)20-14(36)12(34)8(46-20)3-44-49(38,39)7-50(40,41)48-51(42,43)45-4-9-13(35)15(37)21(47-9)33-6-27-11-17(25)29-23(53-2)31-19(11)33/h5-6,8-9,12-15,20-21,34-37H,3-4,7H2,1-2H3,(H,38,39)(H,40,41)(H,42,43)(H2,24,28,30)(H2,25,29,31)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1 |
| InChIKey | YHEWABBPWNWNLH-NAGRZYTCSA-N |
| Mol Weight | 846.6 g/mol |
| Molecular Formula | C23H33N10O15P3S2 |
| Exact Mass | 846.078114 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AV30LwOwIX |
|---|---|
| Name | DI-(2-MES)-ADENOSINE_5',5''-P-(1),P-(3),ALPHA,BETA-METHYLENE-TRIPHOSPHATE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H30N10O15P3S2 |
| InChI | InChI=1S/C23H33N10O15P3S2/c1-52-22-28-16(24)10-18(30-22)32(5-26-10)20-14(36)12(34)8(46-20)3-44-49(38,39)7-50(40,41)48-51(42,43)45-4-9-13(35)15(37)21(47-9)33-6-27-11-17(25)29-23(53-2)31-19(11)33/h5-6,8-9,12-15,20-21,34-37H,3-4,7H2,1-2H3,(H,38,39)(H,40,41)(H,42,43)(H2,24,28,30)(H2,25,29,31)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1 |
| InChIKey | YHEWABBPWNWNLH-NAGRZYTCSA-N |
| Literature Reference Author | S.ALIAHU,H.M.BARR,J.CAMDEN,G.A.WEISMAN,B.FISCHER |
| Literature Reference Citation | J.MED.CHEM.,53,2472(2010) |
| Literature Reference DOI | 10.1021/jm901621h |
| Solvent | D2O |
| Source File Reference | UWMZ46416 |