208589-93-9,Isopropyl-b-D-thioglucuronide sodium salt,
CAS:208589-93-9
C9H15NaO6 / 274.267
MFCD00798401
异丙基-β-D-硫代葡萄糖醛酸苷钠盐,
CAS Number | 208589-93-9 |
Product Name | Isopropyl b-D-thioglucuronide sodium salt |
IUPAC Name | sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-propan-2-ylsulfanyloxane-2-carboxylate |
Molecular Formula | C9H15NaO6S |
Molecular Weight | 274.267 g/mol |
InChI | InChI=1S/C9H16O6S.Na/c1-3(2)16-9-6(12)4(10)5(11)7(15-9)8(13)14;/h3-7,9-12H,1-2H3,(H,13,14);/q;+1/p-1/t4-,5-,6+,7-,9-;/m0./s1 |
InChI Key | KBUAMHFDNNUCET-LTTPZWNQSA-M |
SMILES | CC(C)SC1C(C(C(C(O1)C(=O)[O-])O)O)O.[Na+] |
Canonical SMILES | CC(C)SC1C(C(C(C(O1)C(=O)[O-])O)O)O.[Na+] |
Isomeric SMILES | CC(C)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O.[Na+] |
CAS No: 208589-93-9 Synonyms: IPTGlcA.NaIsopropyl b-D-thioglucuronic acid sodium salt MDL No: MFCD00798401 Chemical Formula: C9H15NaO6S Molecular Weight: 274.267 |
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