7-[(4S)-5-[(1R)-1-hydroxyhepta-2,4,6-triynyl]-2-oxo-1,3-dioxolan-4-yl]heptanoic acid

Base Information

• Chemical Name: 7-[(4S)-5-[(1R)-1-hydroxyhepta-2,4,6-triynyl]-2-oxo-1,3-dioxolan-4-yl]heptanoic acid
• CAS No.: 115216-83-6
• Molecular Formula: C17H18 O6
• Molecular Weight: 318.32
• DSSTox Substance ID: DTXSID10921651
• Wikidata: Q82894621
• Mol file: 115216-83-6.mol

Synonyms:antibiotic EV22;EV 22;L 660,631;L 660631;L-660631;oxo-5-(1-hydroxy-2,4,6-heptatriynyl)-1,3-dioxolane-4-heptanoic acid;Sch 31828;Sch-31828

Chemical Property of 7-[(4S)-5-[(1R)-1-hydroxyhepta-2,4,6-triynyl]-2-oxo-1,3-dioxolan-4-yl]heptanoic acid

Chemical Property:

• Boiling Point: 577.8°Cat760mmHg
• Flash Point: 211.9°C
• PSA: 93.06000
• Density: 1.283g/cm³
• LogP: 1.31650
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 318.11033829
• Heavy Atom Count: 23
• Complexity: 614

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC#CC#CC(C1C(OC(=O)O1)CCCCCCC(=O)O)O
• Isomeric SMILES: C#CC#CC#C[C@H](C1[C@@H](OC(=O)O1)CCCCCCC(=O)O)O