6-[[(1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydronaphthalen-1-Yl]-Methylcarbamoyl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 119733-44-7]

Identification

• Name: 6-[[(1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydronaphthalen-1-Yl]-Methylcarbamoyl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: 6-[[(1S,4S)-4-(3,4-Dichlorophenyl)Tetralin-1-Yl]-Methyl-Carbamoyl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; 6-[[[(1S,4S)-4-(3,4-Dichlorophenyl)-1-Tetralinyl]-Methylamino]-Oxomethoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; 6-[[(1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydronaphthalen-1-Yl]-Methyl-Carbamoyl]Oxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₄H₂₅Cl₂NO₈
• Molecular Weight: 526.37
• CAS Registry Number: 119733-44-7
• SMILES: [C@@H]2(C1=CC=CC=C1[C@H](CC2)N(C(OC3C(C(C(C(O3)C(=O)O)O)O)O)=O)C)C4=CC=C(C(=C4)Cl)Cl
• InChI: 1S/C24H25Cl2NO8/c1-27(24(33)35-23-20(30)18(28)19(29)21(34-23)22(31)32)17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(25)16(26)10-11/h2-6,8,10,12,17-21,23,28-30H,7,9H2,1H3,(H,31,32)/t12-,17-,18?,19?,20?,21?,23?/m0/s1
• InChIKey: IFPBIAXQORQOIY-FQAKDOLHSA-N

Properties

• Density: 1.571g/cm³ (Cal.)
• Boiling point: 726.601°C at 760 mmHg (Cal.)
• Flash point: 393.234°C (Cal.)