| NACRES | NA.51 |
|---|---|
| PubChem Substance ID | 329818676 |
| UNSPSC Code | 41106305 |
| EC Number | 210-123-3 |
| MDL number | MFCD03791273 |
| InChI key | FWBNCIFELNNJCX-UHOVGGJYSA-L |
| InChI | 1S/C21H29N7O14P2.2Na.H2O/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33;;;/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25);;;1H2/q;2*+1;/p-2/t10-,11-,13-,14-,15-,16-,20-,21-;;;/m1.../s1 |
| SMILES string | O.[Na+].[Na+].NC(=O)C1=CN(C=CC1)[C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O |
| biological source | yeast |
| assay | ≥97% (HPLC) |
| form | powder |
| Quality Level | 300 |
| mol wt | 709.40 g/mol |
| color | white to light yellow |
| solubility | water: 712 g/L at 22.5 °C |
| density | 1.995 g/cm3 at 20 °C |
| storage temp. | −20°C |
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