| SpectraBase Compound ID | 93mqqtPKYID |
|---|---|
| InChI | InChI=1S/C22H31N10O16P3.3C6H15N/c23-21-27-15-9(17(37)29-21)25-3-31(15)19-13(35)11(33)7(47-19)1-45-50(41,42)5-49(39,40)6-51(43,44)46-2-8-12(34)14(36)20(48-8)32-4-26-10-16(32)28-22(24)30-18(10)38;3*1-4-7(5-2)6-3/h3-4,7-8,11-14,19-20,33-36H,1-2,5-6H2,(H,39,40)(H,41,42)(H,43,44)(H3,23,27,29,37)(H3,24,28,30,38);3*4-6H2,1-3H3/t7-,8+,11-,12+,13-,14+,19-,20+;;; |
| InChIKey | QKMJNKRXXTVIQO-JWJGERNTSA-N |
| Mol Weight | 1088.04 g/mol |
| Molecular Formula | C40H76N13O16P3 |
| Exact Mass | 1087.474584 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DsiSGnvXYW1 |
|---|---|
| Name | (ALPHA,BETA:BETA,GAMMA-BIS-METHYLENE)-DIGUANOSINE-TRIPHOSPHATE-BIS-TRIETHYLAMMONIUM-SALT |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H76N13O16P3 |
| InChI | InChI=1S/C22H31N10O16P3.3C6H15N/c23-21-27-15-9(17(37)29-21)25-3-31(15)19-13(35)11(33)7(47-19)1-45-50(41,42)5-49(39,40)6-51(43,44)46-2-8-12(34)14(36)20(48-8)32-4-26-10-16(32)28-22(24)30-18(10)38;3*1-4-7(5-2)6-3/h3-4,7-8,11-14,19-20,33-36H,1-2,5-6H2,(H,39,40)(H,41,42)(H,43,44)(H3,23,27,29,37)(H3,24,28,30,38);3*4-6H2,1-3H3/t7-,8+,11-,12+,13-,14+,19-,20+;;; |
| InChIKey | QKMJNKRXXTVIQO-JWJGERNTSA-N |
| 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 |
| Solvent | D2O |
| Source File Reference | UWMS24260 |