(2S,3S,4S,5R,6R)-6-[[4-[(4-Amino-3-Chlorophenyl)Methyl]-2-Chlorophenyl]Amino]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 102411-06-3]

Identification

• Name: (2S,3S,4S,5R,6R)-6-[[4-[(4-Amino-3-Chlorophenyl)Methyl]-2-Chlorophenyl]Amino]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6R)-6-[[4-[(4-Amino-3-Chloro-Phenyl)Methyl]-2-Chloro-Phenyl]Amino]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[[4-[(4-Amino-3-Chlorophenyl)Methyl]-2-Chlorophenyl]Amino]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-6-[[4-(4-Amino-3-Chloro-Benzyl)-2-Chloro-Phenyl]Amino]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₉H₂₀Cl₂N₂O₆
• Molecular Weight: 443.28
• CAS Registry Number: 102411-06-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)NC2=C(Cl)C=C(C=C2)CC3=CC(=C(N)C=C3)Cl
• InChI: 1S/C19H20Cl2N2O6/c20-10-6-8(1-3-12(10)22)5-9-2-4-13(11(21)7-9)23-18-16(26)14(24)15(25)17(29-18)19(27)28/h1-4,6-7,14-18,23-26H,5,22H2,(H,27,28)/t14-,15-,16+,17-,18+/m0/s1
• InChIKey: WAHSIPRGCUJVRE-IECFSIQFSA-N

Properties

• Density: 1.634g/cm³ (Cal.)
• Boiling point: 716.923°C at 760 mmHg (Cal.)
• Flash point: 387.381°C (Cal.)