diundecan-2-yl (2R,3R)-2,3-dihydroxybutanedioate

Base Information

• Chemical Name: diundecan-2-yl (2R,3R)-2,3-dihydroxybutanedioate
• CAS No.: 82052-73-1
• Molecular Formula: C26H50O6
• Molecular Weight: 458.67200
• DSSTox Substance ID: DTXSID90512440

Synonyms:diundecan-2-yl (2R,3R)-2,3-dihydroxybutanedioate;82052-73-1;DTXSID90512440

Chemical Property of diundecan-2-yl (2R,3R)-2,3-dihydroxybutanedioate

Chemical Property:

• PSA: 93.06000
• LogP: 5.85300
• XLogP3: 8.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 23
• Exact Mass: 458.36073931
• Heavy Atom Count: 32
• Complexity: 425

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(C)OC(=O)C(C(C(=O)OC(C)CCCCCCCCC)O)O
• Isomeric SMILES: CCCCCCCCCC(C)OC(=O)[C@@H]([C@H](C(=O)OC(C)CCCCCCCCC)O)O

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