(2R,3R,4R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,7,8-tetrol
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
Also Known As: Melacacidin|(-)-Melacacidin|Epimesquitol-4alpha-ol|Melacacidin, (-)-|Melacacidin, (+/-)-|3,3',4,4',7,8-Hexahydroxyflavan|EPIMESQUITOL-4.ALPHA.-OL|KST-1A5800|(2r,3r,4r)-2-(3,4-dihydroxyphenyl)chromane-3,4,7,8-tetrol|(2R,3R,4R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,4,7,8-TETROL|(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7,8-tetrol|(2R)-2r-(3,4-Dihydroxy-phenyl)-chroman-3c,4c,7,8-tetraol|(2R,3R,4R)-2-(3,4-Dihydroxyphenyl)-3,4,7,8-chromanetetrol|2H-1-Benzopyran-3,4,7,8-tetrol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-(2alpha,3alpha,4alpha))-|(2R)-2alpha-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,4alpha,7,8-tetrol|2alpha-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,4alpha,7,8-tetrol|2H-1-Benzopyran-3,4,7,8-tetrol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3R,4R)-rel-|rel-(2R,3R,4R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,7,8-tetrol|2H-1-BENZOPYRAN-3,4,7,8-TETROL, 2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-, (2R-(2.ALPHA.,3.ALPHA.,4.ALPHA.))-
| Molecular Formula | C15H14O7 |
|---|---|
| Molecular Weight | 306.07394 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.07394 |
| Monoisotopic Mass | 306.07394 |
| Heavy Atoms | 22 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 489-56-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[C@@H]2[C@@H]([C@@H](C3=C(O2)C(=C(C=C3)O)O)O)O)O)O |
| InChIKey | JEUXGAUBSWADEA-MRVWCRGKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2R,3R,4R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,7,8-tetrol (CAS 489-56-5), with molecular formula C15H14O7 and molecular weight 306.07394 g/mol. IUPAC: (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7,8-tetrol.