6-(2-Aminophenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Basic information
- CAS
17656-87-0- Standard SMILES
Nc1ccccc1OC1OC(C(=O)O)C(O)C(O)C1O- InChIKey
ZVFVTBSWJWONEI-UHFFFAOYSA-N- Molecular formula
- C12H15NO7
- Average molar mass
- 285.25 g/mol
- Monoisotopic mass
- 285.08485182
Names & identifiers
- Preferred name
- 6-(2-Aminophenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
- IUPAC
- 6-(2-aminophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Names & synonyms
2-Aminophenyl b-D-glucuronide2-aminophenyl glucuronideNSC892706-(2-aminophenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acidNSC-8927017656-87-0
Database identifiers
- CAS
17656-87-0- PubChem CID
- 259374
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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