| NACRES | NA.51 |
|---|---|
| PubChem Substance ID | 24897665 |
| UNSPSC Code | 41106305 |
| MDL number | MFCD00150480 |
| form | powder |
| InChI key | CYQLUFJYVTUUFN-WUEGHLCSSA-M |
| SMILES string | O[C@H]1[C@@H](O)[C@H]([N+]2=CC(C(N)=O)=CC=C2)O[C@@H]1COP(OP(OC[C@H]3O[C@@H](N(C=N4)C5=C4C(N)=NC=N5)[C@H](OP(O)(O)=O)[C@@H]3O)([O-])=O)([O-])=O.O.[Na+] |
| InChI | 1S/C21H28N7O17P3.Na.H2O/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);;1H2/q;+1;/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;;/m1../s1 |
| biological source | microbial |
| assay | ≥95% (HPLC) |
| color | white to yellow |
| mp | 175-178 °C (dec.) (lit.) |
| solubility | H2O: soluble-50 mg/mL, clear, colorless to greenish-yellow |
| storage temp. | −20°C |
| Quality Level | 300 |
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