2H-1-Benzopyran-5,7-diol, 3-butoxy-2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-
Basic information
- CAS
71634-77-0- Standard SMILES
CCCCO[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1- InChIKey
AGHKRGKRLNLFJD-RBUKOAKNSA-N- Molecular formula
- C19H22O6
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.14163842
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-5,7-diol, 3-butoxy-2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-
- IUPAC
- (2R,3S)-3-butoxy-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
Names & synonyms
2H-1-Benzopyran-5,7-diol, 3-butoxy-2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-71634-77-0SCHEMBL5329042CHEMBL1077024DTXSID20221876(2R,3S)-3-Butoxy-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-5,7-diol
Database identifiers
- CAS
71634-77-0- PubChem CID
- 156191
- DTXSID
DTXSID20221876- ChEMBL
CHEMBL1077024
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 419
Experimental & physicochemical properties
LogP2.64
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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