(2S,3S,4S,5R,6S)-6-(4-Acetamido-2-Methylsulfanylphenoxy)-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 78180-86-6]

Identification

• Name: (2S,3S,4S,5R,6S)-6-(4-Acetamido-2-Methylsulfanylphenoxy)-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-6-(4-Acetamido-2-Methylsulfanyl-Phenoxy)-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[4-Acetamido-2-(Methylthio)Phenoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[4-Acetamido-2-(Methylthio)Phenoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₅H₁₉NO₈S
• Molecular Weight: 373.38
• CAS Registry Number: 78180-86-6
• SMILES: [C@H]2(OC1=CC=C(C=C1SC)NC(=O)C)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)C(=O)O
• InChI: 1S/C15H19NO8S/c1-6(17)16-7-3-4-8(9(5-7)25-2)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h3-5,10-13,15,18-20H,1-2H3,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1
• InChIKey: HMZJUIVYCLFXAK-DKBOKBLXSA-N

Properties

• Density: 1.565g/cm³ (Cal.)
• Boiling point: 713.466°C at 760 mmHg (Cal.)
• Flash point: 385.291°C (Cal.)