N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)threonine

Base Information

• Chemical Name: N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)threonine
• CAS No.: 56222-82-3
• Molecular Formula: C15H16ClNO7
• Molecular Weight: 357.743
• DSSTox Substance ID: DTXSID80971648

Synonyms:N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)threonine;56222-82-3;L-Threonine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-;C15H16ClNO7;C15-H16-Cl-N-O7;DTXSID80971648;LS-153750;N-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]threonine

Chemical Property of N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)threonine

Chemical Property:

• Vapor Pressure: 6.72E-16mmHg at 25°C
• Boiling Point: 613.3°C at 760 mmHg
• Flash Point: 324.7°C
• Density: 1.509g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 357.0615295
• Heavy Atom Count: 24
• Complexity: 528

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(C(C)O)C(=O)O)Cl
• Isomeric SMILES: C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)Cl

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