(2S,3S,4S,5R,6S)-6-[2-(Carboxymethylcarbamoyl)Phenoxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 79294-81-8]

Identification

• Name: (2S,3S,4S,5R,6S)-6-[2-(Carboxymethylcarbamoyl)Phenoxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-6-[2-(Carboxymethylcarbamoyl)Phenoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[2-[(Carboxymethylamino)-Oxomethyl]Phenoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[2-(Carboxymethylcarbamoyl)Phenoxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₅H₁₇NO₁₀
• Molecular Weight: 371.30
• CAS Registry Number: 79294-81-8
• SMILES: [C@H]2(OC1=CC=CC=C1C(=O)NCC(=O)O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)C(=O)O
• InChI: 1S/C15H17NO10/c17-8(18)5-16-13(22)6-3-1-2-4-7(6)25-15-11(21)9(19)10(20)12(26-15)14(23)24/h1-4,9-12,15,19-21H,5H2,(H,16,22)(H,17,18)(H,23,24)/t9-,10-,11+,12-,15+/m0/s1
• InChIKey: YLHIHVLXUROIAA-QKZHPOIUSA-N

Properties

• Density: 1.675g/cm³ (Cal.)
• Boiling point: 780.13°C at 760 mmHg (Cal.)
• Flash point: 425.607°C (Cal.)