(2S)-7-Hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,2,3,4-Tetrahydronaphthalene-2-Carboxylic Acid
[CAS# 133084-09-0]

Identification

• Name: (2S)-7-Hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,2,3,4-Tetrahydronaphthalene-2-Carboxylic Acid
• Synonyms: (2S)-7-Hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetralin-2-Carboxylic Acid; (2S)-7-Hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetralincarboxylic Acid; (2S)-7-Hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetralin-2-Carboxylic Acid
• Molecular Formula: C₁₇H₂₂O₉
• Molecular Weight: 370.36
• CAS Registry Number: 133084-09-0
• SMILES: [C@H]1(CC2=C(CC1)C(=CC(=C2)O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)CO)C(=O)O
• InChI: 1S/C17H22O9/c18-6-12-13(20)14(21)15(22)17(26-12)25-11-5-9(19)4-8-3-7(16(23)24)1-2-10(8)11/h4-5,7,12-15,17-22H,1-3,6H2,(H,23,24)/t7-,12+,13+,14-,15+,17+/m0/s1
• InChIKey: LZKGKUKUSQNWFR-DTGGDYGMSA-N

Properties

• Density: 1.583g/cm³ (Cal.)
• Boiling point: 745.235°C at 760 mmHg (Cal.)
• Flash point: 272.59°C (Cal.)