Sodium (3S,4S,5R)-7-(2,4-Dichlorophenyl)-3,4,5-Trihydroxyheptanoate
[CAS# 141267-47-2]

Identification

• Name: Sodium (3S,4S,5R)-7-(2,4-Dichlorophenyl)-3,4,5-Trihydroxyheptanoate
• Synonyms: Sodium (3S,4S,5R)-7-(2,4-Dichlorophenyl)-3,4,5-Trihydroxy-Heptanoate; Sodium (3S,4S,5R)-7-(2,4-Dichlorophenyl)-3,4,5-Trihydroxy-Enanthate; 2,6,7-Trideoxy-7-C-(2,4-Dichlorophenyl)Heptonic Acid
• Molecular Formula: C₁₃H₁₅Cl₂NaO₅
• Molecular Weight: 345.15
• CAS Registry Number: 141267-47-2
• SMILES: [C@H](O)([C@H](O)CCC1=C(Cl)C=C(Cl)C=C1)[C@@H](O)CC([O-])=O.[Na+]
• InChI: 1S/C13H16Cl2O5.Na/c14-8-3-1-7(9(15)5-8)2-4-10(16)13(20)11(17)6-12(18)19;/h1,3,5,10-11,13,16-17,20H,2,4,6H2,(H,18,19);/q;+1/p-1/t10-,11+,13+;/m1./s1
• InChIKey: WJTBMLZWEDIMFJ-CHZGQIEOSA-M

Properties

• Boiling point: 585.7°C at 760 mmHg (Cal.)
• Flash point: 308°C (Cal.)