| SpectraBase Compound ID | 1ch5BsVhYjW |
|---|---|
| InChI | InChI=1S/C16H23N5O12P2.C6H15N/c17-14-9-15-19-5-20(14)7-1-6(10(22)11(7)23)2-30-34(26,27)33-35(28,29)31-3-8-12(24)13(25)16(32-8)21(15)4-18-9;1-4-7(5-2)6-3/h4-8,10-13,16-17,22-25H,1-3H2,(H2,26,27,28,29);4-6H2,1-3H3/t6-,7-,8-,10-,11+,12-,13-,16-;/m1./s1 |
| InChIKey | MFHMZCWTHGZOGT-LMOBEWOJSA-N |
| Mol Weight | 640.52 g/mol |
| Molecular Formula | C22H38N6O12P2 |
| Exact Mass | 640.202295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | a6wk8aMyNW |
|---|---|
| Name | CYCLIC-ADP-CARBOCYCLIC-RIBOSE-TRIETHYLAMMONIUM-SALT |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H38N6O12P2 |
| InChI | InChI=1S/C16H23N5O12P2.C6H15N/c17-14-9-15-19-5-20(14)7-1-6(10(22)11(7)23)2-30-34(26,27)33-35(28,29)31-3-8-12(24)13(25)16(32-8)21(15)4-18-9;1-4-7(5-2)6-3/h4-8,10-13,16-17,22-25H,1-3H2,(H2,26,27,28,29);4-6H2,1-3H3/t6-,7-,8-,10-,11+,12-,13-,16-;/m1./s1 |
| InChIKey | MFHMZCWTHGZOGT-LMOBEWOJSA-N |
| Literature Reference Author | S.SHUTO,M.FUKUOKA,A.MANIKOWSKY,Y.UENO,T.NAKANO,R.KURODA,H.KU RODA,A.MATSUDA |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,8750(2001) |
| Literature Reference DOI | 10.1021/ja010756d |
| Molecular Weight | 640.524 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN30275 |