(5Z)-7-{(1S,2S,3R,4R)-3-[(1E,3R)-3-Hydroxy-4-(4-Iodophenoxy)-1-Buten-1-Yl]-7-Oxabicyclo[2.2.1]Hept-2-Yl}-5-Heptenoic Acid
[CAS# 128719-90-4]

Identification

• Name: (5Z)-7-{(1S,2S,3R,4R)-3-[(1E,3R)-3-Hydroxy-4-(4-Iodophenoxy)-1-Buten-1-Yl]-7-Oxabicyclo[2.2.1]Hept-2-Yl}-5-Heptenoic Acid
• Synonyms: " [1S-[1α,2α(Z),3β(1E,3S*),4α]]-7-[3-[3-hydroxy-4-(4-iodophenoxy)-1-butenyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic acid" ; [1S-[1α,2α(Z),3β(1E,3S*),4α]]-7-[3-[3-hydroxy-4-(4-iodophenoxy)-1-butenyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic acid; I-BOP
• Molecular Formula: C₂₃H₂₉IO₅
• Molecular Weight: 512.38
• CAS Registry Number: 128719-90-4
• SMILES: C1C[C@@H]2[C@@H]([C@@H]([C@H]1O2)C/C=C\CCCC(=O)O)/C=C/[C@H](COC3=CC=C(C=C3)I)O
• InChI: 1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19+,20-,21+,22-/m1/s1
• InChIKey: UYFMSCHBODMWON-BALKFHRXSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 634.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 337.5±31.5°C (Cal.)
• Refractive index: 1.627 (Cal.)