5-(4-(2-acetamido-2-deoxyglucopyranosyloxy)-3-methoxyphenylmethylene)-2-thioxothiazolidin-4-one-3-ethanoate
Modify Date: 2025-08-25 21:59:38
5-(4-(2-acetamido-2-deoxyglucopyranosyloxy)-3-methoxyphenylmethylene)-2-thioxothiazolidin-4-one-3-ethanoate structure
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Common Name | 5-(4-(2-acetamido-2-deoxyglucopyranosyloxy)-3-methoxyphenylmethylene)-2-thioxothiazolidin-4-one-3-ethanoate | ||
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| CAS Number | 125261-87-2 | Molecular Weight | 545.58300 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C21H27N3O10S2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | azanium,2-[(5E)-5-[[4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate |
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| Synonym | More Synonyms |
| Molecular Formula | C21H27N3O10S2 |
|---|---|
| Molecular Weight | 545.58300 |
| Exact Mass | 545.11400 |
| PSA | 239.21000 |
| LogP | 0.40560 |
| InChIKey | CEKMVWASOJLIAG-IYMWRXDZSA-N |
| SMILES | COc1cc(C=C2SC(=S)N(CC(=O)[O-])C2=O)ccc1OC1OC(CO)C(O)C(O)C1NC(C)=O.[NH4+] |
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~92%
5-(4-(2-acetami... CAS#:125261-87-2 |
| Literature: Aamlid, Kai H.; Lee, Grantham; Smith, Brian V.; Richardson, Anthony C.; Price, Robert G. Carbohydrate Research, 1990 , vol. 205, # 1 p. C5 - C9 |
| Precursor 1 | |
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| DownStream 0 | |
| 7-Chloro-4-sulfobenzofurazane ammonium salt |
| 4-CHLORO-7-SULPHOBENZOFURAZAN,AMMONIUM SALT |
| SBF-CL |
| 7-CHLORO-4-BENZOFURANSULFONIC ACID,AMMONIUM SALT |
| 4-chloro-7-sulfobenzofurazan |
| SBF-CHLORIDE |
| 7-CHLORO-4-BENZOFURANSULFONIC ACID |
| AMMONIUM 4-CHLORO-7-SULFOBENZOFURAZAN |
| 7-CHLORO-4-SULFOBENZ-2-OXA-1,3-DIAZOLE A MMONIUM |
| ammonium 4-chloro-2,1,3-benzoxadiazole-7-sulfonate |