Quercetin-5'-sulfonic acid
Basic information
- CAS
31273-65-1- Standard SMILES
O=c1c(O)c(-c2cc(O)c(O)c(S(=O)(=O)O)c2)oc2cc(O)cc(O)c12- InChIKey
RFMFTAKHIJEMQC-UHFFFAOYSA-N- Molecular formula
- C15H10O10S
- Average molar mass
- 382.3 g/mol
- Monoisotopic mass
- 381.99946769
Names & identifiers
- Preferred name
- Quercetin-5'-sulfonic acid
- IUPAC
- 2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzenesulfonic acid
Names & synonyms
quercetin-5'-sulfonic acid31273-65-1RefChem:178118Benzenesulfonic acid, 2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzenesulfonic acidSCHEMBL6715020DTXSID701851962,3-Dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)benzene-1-sulfonic acid
Database identifiers
- CAS
31273-65-1- PubChem CID
- 5487967
- DTXSID
DTXSID70185196- Nikkaji
- J2.082.101I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 710
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Compound notes
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