HOMOARBUTIN
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-3-methylphenoxy)oxane-3,4,5-triol
Also Known As: HOMOARBUTIN|Isohomoarbutin|Orcinol glucoside|HY-N2418|TN1738|FS-7052|4-hydroxy-3-methylphenyl hexopyranoside|2-Methyl-4-(beta-D-glucopyranosyloxy)phenol|b-D-Glucopyranoside,4-hydroxy-3-methylphenyl|O(c1ccc(O)c(C)c1)C2OC(CO)C(O)C(O)C2O|3-Methyl-4-hydroxyphenyl beta-D-glucopyranoside|(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-3-methylphenoxy)oxane-3,4,5-triol
CAS: 21082-33-7
| Molecular Formula | C13H18O7 |
|---|---|
| Molecular Weight | 286.10526 g/mol |
| LogP | -1.12068 |
| Topological Polar Surface Area | 119.61 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.10526 |
| Monoisotopic Mass | 286.10526 |
| Heavy Atoms | 20 |
| Complexity | 462.03293 |
Chemical Identifiers
| CAS Number | 21082-33-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O |
Product Overview
HOMOARBUTIN (CAS 21082-33-7), with molecular formula C13H18O7 and molecular weight 286.10526 g/mol. IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-3-methylphenoxy)oxane-3,4,5-triol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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