4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid
(2S,3S,4S,5R,6S)-6-(4-aminophenyl)sulfanyl-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Paptga|p-aminophenyl 1-thio-beta-d-glucuronide|4-Aminophenyl 1-thiohexopyranosiduronic acid|P-AMINOPHENYL 1-THIO-B-D-GLUCURONIDE|4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid|J1.458.754C|4-aminophenyl 1-thio-|A-d-glucopyranosiduronic acid|p-Aminophenyl-1-thio-EC-D-glucopyranosiduronsaeure|4-Aminophenyl 1-thio-beta-D-glucopyranosiduronic acid|beta-D-Glucopyranosiduronic acid, 4-aminophenyl 1-thio-, (Z)-|1-(4-Aminophenylthio)-1-deoxy-beta-D-glucopyranuronic acid|(2S,3S,4S,5R,6S)-6-(4-aminophenyl)sulfanyl-3,4,5-trihydroxyoxane-2-carboxylic acid|(2S,3S,4S,5R,6S)-6-[(4-AMINOPHENYL)SULFANYL]-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID
| Molecular Formula | C12H15NO6S |
|---|---|
| Molecular Weight | 301.062 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.062 |
| Monoisotopic Mass | 301.062 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 66975-04-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | GUCRMDNXKXTARL-LIJGXYGRSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid (CAS 66975-04-0), with molecular formula C12H15NO6S and molecular weight 301.062 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(4-aminophenyl)sulfanyl-3,4,5-trihydroxyoxane-2-carboxylic acid.
4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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