(Z)-7-[(1S,2R,3R,5S)-2-[(2S)-3-(3-Chlorophenoxy)-2-Hydroxypropyl]Sulfanyl-3,5-Dihydroxycyclopentyl]Hept-5-Enoic Acid
[CAS# 73523-00-9]

Identification

• Name: (Z)-7-[(1S,2R,3R,5S)-2-[(2S)-3-(3-Chlorophenoxy)-2-Hydroxypropyl]Sulfanyl-3,5-Dihydroxycyclopentyl]Hept-5-Enoic Acid
• Synonyms: (Z)-7-[(1S,2R,3R,5S)-2-[(2S)-3-(3-Chlorophenoxy)-2-Hydroxy-Propyl]Sulfanyl-3,5-Dihydroxy-Cyclopentyl]Hept-5-Enoic Acid; (Z)-7-[(1S,2R,3R,5S)-2-[[(2S)-3-(3-Chlorophenoxy)-2-Hydroxypropyl]Thio]-3,5-Dihydroxycyclopentyl]Hept-5-Enoic Acid; (Z)-7-[(1S,2R,3R,5S)-2-[[(2S)-3-(3-Chlorophenoxy)-2-Hydroxy-Propyl]Thio]-3,5-Dihydroxy-Cyclopentyl]Hept-5-Enoic Acid
• Molecular Formula: C₂₁H₂₉ClO₆S
• Molecular Weight: 444.97
• CAS Registry Number: 73523-00-9
• SMILES: [C@H]1([C@H]([C@H](O)C[C@@H]1O)SC[C@H](COC2=CC=CC(=C2)Cl)O)C\C=C/CCCC(O)=O
• InChI: 1S/C21H29ClO6S/c22-14-6-5-7-16(10-14)28-12-15(23)13-29-21-17(18(24)11-19(21)25)8-3-1-2-4-9-20(26)27/h1,3,5-7,10,15,17-19,21,23-25H,2,4,8-9,11-13H2,(H,26,27)/b3-1-/t15-,17-,18-,19+,21+/m0/s1
• InChIKey: KFUDFIMHDRJVLV-MSKGSUGCSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 685.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 368.1±31.5°C (Cal.)