methyl (5R,6R)-6,7-dihydroxy-5-methylheptanoate

Base Information

• Chemical Name: methyl (5R,6R)-6,7-dihydroxy-5-methylheptanoate
• CAS No.: 333385-15-2
• Molecular Formula: C₉H₁₈O₄
• Molecular Weight: 190.24
• DSSTox Substance ID: DTXSID401244758

Synonyms:DTXSID401244758;methyl (5R,6R)-6,7-dihydroxy-5-methylheptanoate;333385-15-2

Chemical Property of methyl (5R,6R)-6,7-dihydroxy-5-methylheptanoate

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 190.12050905
• Heavy Atom Count: 13
• Complexity: 147

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MSDS Files:

Useful:

• Canonical SMILES: CC(CCCC(=O)OC)C(CO)O
• Isomeric SMILES: C[C@H](CCCC(=O)OC)[C@H](CO)O

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