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Esculin sesquihydrate - 98%, high purity , CAS No.66778-17-4
Basic Description
| Synonyms | Esculin hydrate|Esculin sesquihydrate|66778-17-4|CHEBI:73111|1217453-54-7|Esculinsesquihydrate|7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;hydrate|7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside--water |
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| Specifications & Purity | ≥98% |
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| Storage Temp | Protected from light |
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| Shipped In | Normal |
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Names and Identifiers
| Pubchem Sid | 488199074 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488199074 |
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| IUPAC Name | 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;hydrate |
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| INCHI | InChI=1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2/t10-,12-,13+,14-,15-;/m1./s1 |
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| InChi Key | CQYPGSKIFJFVDQ-QWFKVUSTSA-N |
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| Canonical SMILES | C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.O |
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| Isomeric SMILES | C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O.O |
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| Alternate CAS | 531-75-9 |
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| PubChem CID | 16211025 |
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| Molecular Weight | 367.31 |
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Chemical and Physical Properties
| Sensitivity | Moisture sensitive. |
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| Melt Point(°C) | 204-206°C |
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