4-Aminophenyl 1-Thio-beta-D-Glucuronide
[CAS# 62205-44-1]

Identification

• Name: 4-Aminophenyl 1-Thio-beta-D-Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-(4-Aminophenyl)Sulfanyl-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[(4-Aminophenyl)Thio]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[(4-Aminophenyl)Thio]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₂H₁₅NO₆S
• Molecular Weight: 301.31
• CAS Registry Number: 62205-44-1
• SMILES: [C@H]2(SC1=CC=C(C=C1)N)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)C(=O)O
• InChI: 1S/C12H15NO6S/c13-5-1-3-6(4-2-5)20-12-9(16)7(14)8(15)10(19-12)11(17)18/h1-4,7-10,12,14-16H,13H2,(H,17,18)/t7-,8-,9+,10-,12-/m0/s1
• InChIKey: GUCRMDNXKXTARL-LIJGXYGRSA-N

Properties

• Density: 1.643g/cm³ (Cal.)
• Boiling point: 648.03°C at 760 mmHg (Cal.)
• Flash point: 345.716°C (Cal.)