DHBOA-Glc
7-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one
Also Known As: DHBOA-Glc|3,7-Dihydroxy-2H-1,4-benzoxazin-2-yl hexopyranoside|7-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one|2-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1,4-benzoxazin-3(4H)-one|7-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one
CAS: 28512-70-1
| Molecular Formula | C14H17NO9 |
|---|---|
| Molecular Weight | 343.09033 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.09033 |
| Monoisotopic Mass | 343.09033 |
| Heavy Atoms | 24 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 28512-70-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)OC(C(=O)N2)OC3C(C(C(C(O3)CO)O)O)O |
| InChIKey | VUFDXOACUHDTLI-UHFFFAOYSA-N |
Product Overview
DHBOA-Glc (CAS 28512-70-1), with molecular formula C14H17NO9 and molecular weight 343.09033 g/mol. IUPAC: 7-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one.
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.
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