![6-Methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one structure](/static/products/5314/531-44-2.webp)
6-Methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Also Known As: Scopolin|Scopoloside|Murrayin|Scopoletin 7-glucoside|Scopoletin 7-O-Glucoside|7beta-D-Glucopyranosyloxy-6-methoxycumarin|6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one|6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one|7-(beta-D-Glucopyranosyloxy)-6-methoxy-2H-1-benzopyran-2-one|2H-1-Benzopyran-2-one, 7-(.beta.-D-glucopyranosyloxy)-6-methoxy-|6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one|6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydropyran-2-y l)oxy]chromen-2-one
| Molecular Formula | C16H18O9 |
|---|---|
| Molecular Weight | 354.0951 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.0951 |
| Monoisotopic Mass | 354.0951 |
| Heavy Atoms | 25 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 531-44-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O |
| InChIKey | SGTCGCCQZOUMJJ-UHFFFAOYSA-N |
Product Overview
6-Methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one (CAS 531-44-2), with molecular formula C16H18O9 and molecular weight 354.0951 g/mol. IUPAC: 6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one.
6-Methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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