(Z)-7-[(2S,4S,5R)-4-(2-Hydroxyphenyl)-2-(Trifluoromethyl)-1,3-Dioxan-5-Yl]Hept-5-Enoic Acid
[CAS# 106393-80-0]

Identification

• Name: (Z)-7-[(2S,4S,5R)-4-(2-Hydroxyphenyl)-2-(Trifluoromethyl)-1,3-Dioxan-5-Yl]Hept-5-Enoic Acid
• Synonyms: Ici185282; Ncgc00024815-01; Tocris-0836
• Molecular Formula: C₁₈H₂₁F₃O₅
• Molecular Weight: 374.36
• CAS Registry Number: 106393-80-0
• SMILES: [C@@H]1(OC[C@@H](C\C=C/CCCC(=O)O)[C@H](O1)C2=CC=CC=C2O)C(F)(F)F
• InChI: 1S/C18H21F3O5/c19-18(20,21)17-25-11-12(7-3-1-2-4-10-15(23)24)16(26-17)13-8-5-6-9-14(13)22/h1,3,5-6,8-9,12,16-17,22H,2,4,7,10-11H2,(H,23,24)/b3-1-/t12-,16+,17+/m1/s1
• InChIKey: ZWAVGFSZMACJHA-PMNBYGLBSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 451.836°C at 760 mmHg (Cal.)
• Flash point: 227.062°C (Cal.)
• solubility: Soluble in DMSO