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Sinigrine, TRC
Specifications
Specifications
| Nombre del producto químico o material | Sinigrin Potassium salt |
| CAS | 3952-98-5 |
| Fórmula molecular | C10 H16 N O9 S2 . K |
| Cantidad | 250 mg |
| Sinónimo | β-D-Glucopyranose','1-thio-','1-[N-(sulfooxy)-3-butenimidate]','potassium salt (1:1) (ACI), Glucopyranose','1-thio-','1-(3-butenoate)','oxime','O-sulfate','potassium salt','β-D- (7CI), Glucopyranose','1-thio-','1-(3-butenohydroximate) NO-(hydrogen sulfate)','monopotassium salt','β-D- (8CI), Sinigrin (6CI), β-D-Glucopyranose','1-thio-','1-[N-(sulfooxy)-3-butenimidate]','monopotassium salt (9CI), Allyl glucosinolate potassium, NSC 407279, NSC 90774, Sinigrine |
| Fórmula InChI | InChI=1S/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6+;/t5-,7-,8+,9-,10+;/m1./s1 |
| SMILES | [K+].OC[C@H]1O[C@@H](S\C(=N\OS(=O)(=O)[O-])\CC=C)[C@H](O)[C@@H](O)[C@@H]1O |
| Nombre IUPAC | sulfato de potasio;[(E)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihidroxi-6-(hidroximetil)oxan-2-il]sulfanilbut-3-enilidenoamino] |
| Peso molecular (g/mol) | 397.46 |
| Formula Weight (peso de la fórmula) | 396.9904 |
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