| SpectraBase Compound ID | 6Eyavc9m8mW |
|---|---|
| InChI | InChI=1S/C22H31N10O14P3.3Na/c23-17-11-19(27-3-25-17)31(5-29-11)21-15(35)13(33)9(45-21)1-43-48(39,40)7-47(37,38)8-49(41,42)44-2-10-14(34)16(36)22(46-10)32-6-30-12-18(24)26-4-28-20(12)32;;;/h3-6,9-10,13-16,21-22,33-36H,1-2,7-8H2,(H,37,38)(H,39,40)(H,41,42)(H2,23,25,27)(H2,24,26,28);;;/q;3*+1/p-3/t9-,10+,13-,14+,15-,16+,21-,22+;;; |
| InChIKey | ZVQKHVOIVGUONK-APELKZNSSA-K |
| Mol Weight | 818.41259384 g/mol |
| Molecular Formula | C22H28N10Na3O14P3 |
| Exact Mass | 818.069239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LWeVFDyx88y |
|---|---|
| Name | (ALPHA,BETA:BETA,GAMMA-BIS-METHYLENE)-DIADENOSINE-TRIPHOSPHATE-TRISODIUM-SALT |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28N10Na3O14P3 |
| InChI | InChI=1S/C22H31N10O14P3.3Na/c23-17-11-19(27-3-25-17)31(5-29-11)21-15(35)13(33)9(45-21)1-43-48(39,40)7-47(37,38)8-49(41,42)44-2-10-14(34)16(36)22(46-10)32-6-30-12-18(24)26-4-28-20(12)32;;;/h3-6,9-10,13-16,21-22,33-36H,1-2,7-8H2,(H,37,38)(H,39,40)(H,41,42)(H2,23,25,27)(H2,24,26,28);;;/q;3*+1/p-3/t9-,10+,13-,14+,15-,16+,21-,22+;;; |
| InChIKey | ZVQKHVOIVGUONK-APELKZNSSA-K |
| Literature Reference Author | E.KLEIN,S.MONS,A.VALLEIX,C.MIOSKOWSKI,L.LEBEAU |
| Literature Reference Citation | J.ORG.CHEM.,67,146(2002) |
| Literature Reference DOI | 10.1021/jo015836e |
| Molecular Weight | 818.414 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS24248 |