basic_info |
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| Product_Name: | 苯酚-β-D-葡萄糖醛酸钠 |
| CAS: | 6820-54-8 |
| 中文同义词: | 苯酚-β-D-葡萄糖醛酸钠 |
| EnglishSynonyms: | PHENOLPHTHALEIN-BETA-D-GLUCURONIC ACID, SODIUM SALT MONOHYDRATE |
| pro_mdlNumber: | MFCD21364773 |
| pro_acceptors: | 10 |
| pro_donors: | 4 |
| pro_smile: | c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O.O.[Na+] |
| InChi: | InChI=1S/C26H22O10.Na.H2O/c27-15-9-5-13(6-10-15)26(18-4-2-1-3-17(18)24(33)36-26)14-7-11-16(12-8-14)34-25-21(30)19(28)20(29)22(35-25)23(31)32;;/h1-12,19-22,25,27-30H,(H,31,32);;1H2/q;+1;/p-1/t19-,20-,21+,22-,25+,26?;;/m0../s1 |
| InChiKey: | InChIKey=CRPQNABAGYROBX-KLDJDDSZSA-M |
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