3-Methoxyacetaminophen glucuronide
Basic information
- CAS
52092-55-4- Standard SMILES
COc1cc(NC(C)=O)ccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
XLGYMPUDHJPLNR-DKBOKBLXSA-N- Molecular formula
- C15H19NO9
- Average molar mass
- 357.31 g/mol
- Monoisotopic mass
- 357.10598118
Names & identifiers
- Preferred name
- 3-Methoxyacetaminophen glucuronide
- IUPAC
- (2S,3S,4S,5R,6S)-6-(4-acetamido-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Names & synonyms
3-Methoxyacetaminophen glucuronide3-Methoxyparacetamol glucuronideJ2.119.224D1T7E27Y792UNII-1T7E27Y792N-Acetyl-3-methoxy-4-glucuronosidoaniline52092-55-4beta-D-Glucopyranosiduronic acid, 4-(acetylamino)-2-methoxyphenyl.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(ACETYLAMINO)-2-METHOXYPHENYLRefChem:94619DTXSID701297318Q27252859
Show more names
4-Acetamido-2-methoxyphenyl beta-D-glucopyranosiduronic acid
Database identifiers
- CAS
52092-55-4- PubChem CID
- 14367271
- DTXSID
DTXSID701297318- UNII
- 1T7E27Y792
- Nikkaji
- J2.119.224D
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
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Related reactions
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Compound notes
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