Acetic acid, ((4-((1R,2S,3R,5R)-5-chloro-2-((3S)-3-cyclohexyl-3-hydroxy-1-propynyl)-3-hydroxycyclopentyl)butyl)thio)

Base Information

• Chemical Name: Acetic acid, ((4-((1R,2S,3R,5R)-5-chloro-2-((3S)-3-cyclohexyl-3-hydroxy-1-propynyl)-3-hydroxycyclopentyl)butyl)thio)
• CAS No.: 170730-17-3
• Molecular Formula: C20H31ClO4S
• UNII: 6N4E8NI7RM
• Mol file: 170730-17-3.mol

Synonyms:TS-022 anhydrous;6N4E8NI7RM;UNII-6N4E8NI7RM;170730-17-3;Acetic acid, ((4-((1R,2S,3R,5R)-5-chloro-2-((3S)-3-cyclohexyl-3-hydroxy-1-propynyl)-3-hydroxycyclopentyl)butyl)thio);SCHEMBL3395981

Chemical Property of Acetic acid, ((4-((1R,2S,3R,5R)-5-chloro-2-((3S)-3-cyclohexyl-3-hydroxy-1-propynyl)-3-hydroxycyclopentyl)butyl)thio)

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 402.1631583
• Heavy Atom Count: 26
• Complexity: 508

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)C(C#CC2C(CC(C2CCCCSCC(=O)O)Cl)O)O
• Isomeric SMILES: C1CCC(CC1)[C@@H](C#C[C@H]2[C@@H](C[C@H]([C@@H]2CCCCSCC(=O)O)Cl)O)O

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