| SpectraBase Compound ID | 2KmZex59Tbr |
|---|---|
| InChI | InChI=1S/C16H25N5O15P2S.2N/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)7(23)4(34-14)2-33-37(29,30)36-38(31,32)35-15-11(27)9(25)8(24)5(1-22)39-15;;/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28);;/q;2*+1/p-2/t4-,5-,7-,8-,9+,10-,11+,14-,15+;;/m0../s1 |
| InChIKey | KMWKJIAWUXZYFQ-OJJPVMFVSA-L |
| Mol Weight | 647.402 g/mol |
| Molecular Formula | C16H23N7O15P2S |
| Exact Mass | 647.044808 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6vF6WfwXXN5 |
|---|---|
| Name | GUANOSINE-5'-DIPHOSPHO-5-THIO-ALPHA-D-MANNOPYRANOSE-DIAMMONIUM-SALT |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H23N7O15P2S |
| InChI | InChI=1S/C16H25N5O15P2S.2N/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)7(23)4(34-14)2-33-37(29,30)36-38(31,32)35-15-11(27)9(25)8(24)5(1-22)39-15;;/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28);;/q;2*+1/p-2/t4-,5-,7-,8-,9+,10-,11+,14-,15+;;/m0../s1 |
| InChIKey | KMWKJIAWUXZYFQ-OJJPVMFVSA-L |
| Literature Reference Author | O.TSURUTA,H.YUASA,H.HASHIMOTO,K.SUJINO,A.OTTER,H.LI,M.M.PALC IC |
| Literature Reference Citation | J.ORG.CHEM.,68,6400(2003) |
| Literature Reference DOI | 10.1021/jo0300035 |
| Solvent | D2O |
| Source File Reference | UWVN20805 |