(2S,3R,4S,5S,6R)-2-(2,4,6-Trichloro-3-Methoxy-5-Methylphenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol
[CAS# 143601-11-0]

Identification

• Name: (2S,3R,4S,5S,6R)-2-(2,4,6-Trichloro-3-Methoxy-5-Methylphenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol
• Synonyms: (2S,3R,4S,5S,6R)-2-(2,4,6-Trichloro-3-Methoxy-5-Methyl-Phenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-(2,4,6-Trichloro-3-Methoxy-5-Methylphenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-(2,4,6-Trichloro-3-Methoxy-5-Methyl-Phenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol
• Molecular Formula: C₁₉H₂₅Cl₃O₁₁
• Molecular Weight: 535.76
• CAS Registry Number: 143601-11-0
• SMILES: [C@@H]2(OC1=C(Cl)C(=C(Cl)C(=C1Cl)OC)C)O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O
• InChI: 1S/C19H25Cl3O11/c1-5-8(20)16(29-2)10(22)17(9(5)21)33-19-15(28)13(26)12(25)7(32-19)4-31-18-14(27)11(24)6(23)3-30-18/h6-7,11-15,18-19,23-28H,3-4H2,1-2H3/t6-,7-,11+,12-,13+,14-,15-,18+,19+/m1/s1
• InChIKey: KGGBAMINDPCFIK-CWADMIAUSA-N

Properties

• Density: 1.69g/cm³ (Cal.)
• Boiling point: 754.261°C at 760 mmHg (Cal.)
• Flash point: 409.962°C (Cal.)