8-Hydroxyquinoline glucuronide
Basic information
- CAS
14683-61-5- Standard SMILES
O=C(O)[C@H]1O[C@@H](Oc2cccc3cccnc23)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
DPEGQJDYRIQRHI-DKBOKBLXSA-N- Molecular formula
- C15H15NO7
- Average molar mass
- 321.28 g/mol
- Monoisotopic mass
- 321.08485182
Overview
RN given refers to beta-D-isomer; RN for cpd without isomeric designation not available 7/88
Names & identifiers
- Preferred name
- 8-Hydroxyquinoline glucuronide
- IUPAC
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylic acid
- English name
- 8-Hydroxyquinoline glucuronide
- Molecular formula
- C15H15NO7
- Molecular weight
- 321.28
Names & synonyms
8-Hydroxyquinoline glucuronide14683-61-58-HQG8-hydroxyquinolyl glucoronide8-hydroxy-quinolyl-glucuronideAY3E5ZM43MDTXSID901305751NSC-875188-OHQ-GlcARefChem:107198DTXCID001735727238-724-6
Show more names
NSC 87518Einecs 238-724-68-quinolinylglucuronide8-QUINOLINOL GLUCURONIDEQUINOLYL-8BETA-GLUCURONIC ACID8-Hydroxyquinoline-b-D-glucuronide8-Quinolyl β-D-glucopyranosiduronic acid
BRN 00471508-Quinolinyl glucuronideGlucopyranosiduronic acid, 8-quinolyl, beta-D-8-HydroxyquinolineglucuronideQuinolyl glucuronide(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(8-quinolyloxy)tetrahydropyran-2-carboxylic acid8-hydroxyquinoline-beta-D-glucuronidebeta-D-Glucopyranosiduronic acid, 8-quinolinyl
Database identifiers
- CAS
14683-61-5- PubChem CID
- 84592
- DTXSID
DTXSID901305751- UNII
- AY3E5ZM43M
- EC Number
- 238-724-6
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Boiling point
- 639.9 · 639.9±55.0 °C(Predicted)
- Density
- 1.626 · 1.626±0.06 g/cm3(Predicted)
- pka
- 2.66 · 2.66±0.70(Predicted)
- form
- powder
- color
- light green
- FDA UNII
- 3 E5ZM43M · AY3E5ZM43M
- WGK Germany
- 3 · 3
- RTECS
- 6504000 · LZ6504000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- LZ6504000
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Compound notes
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