| SpectraBase Compound ID | DTIWAHUhbMZ |
|---|---|
| InChI | InChI=1S/C17H22N2O12P2.2Na/c1-10-3-2-4-11(7-10)8-28-32(24,25)31-33(26,27)29-9-12-14(21)15(22)16(30-12)19-6-5-13(20)18-17(19)23;;/h2-7,12,14-16,21-22H,8-9H2,1H3,(H,24,25)(H,26,27)(H,18,20,23);;/q;2*+1/p-2/t12-,14-,15-,16-;;/m0../s1 |
| InChIKey | RWZNSGCJFNXIQO-MAKOPHIKSA-L |
| Mol Weight | 552.27606256 g/mol |
| Molecular Formula | C17H20N2Na2O12P2 |
| Exact Mass | 552.028687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsBd4xXHHqg |
|---|---|
| Name | DISODIUM-(3-METHYLBENZYL)-URIDINE-5'-DIPHOSPHATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H20N2Na2O12P2 |
| InChI | InChI=1S/C17H22N2O12P2.2Na/c1-10-3-2-4-11(7-10)8-28-32(24,25)31-33(26,27)29-9-12-14(21)15(22)16(30-12)19-6-5-13(20)18-17(19)23;;/h2-7,12,14-16,21-22H,8-9H2,1H3,(H,24,25)(H,26,27)(H,18,20,23);;/q;2*+1/p-2/t12-,14-,15-,16-;;/m0../s1 |
| InChIKey | RWZNSGCJFNXIQO-MAKOPHIKSA-L |
| Literature Reference Author | A.K.BHATTACHARYA,F.STOLZ,J.KURZECK,W.RUEGER,R.R.SCHMIDT |
| Literature Reference Citation | BIOORG.MED.CHEM.,10,1129(2002) |
| Literature Reference DOI | 10.1016/S0968-0896(01)00371-6 |
| Molecular Weight | 552.279 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU31050 |