(2R,3R,11R,12R)-1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid

Base Information

• Chemical Name: (2R,3R,11R,12R)-1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid
• CAS No.: 119719-58-3
• Molecular Formula: C16H24 O14
• Molecular Weight: 440.35
• European Community (EC) Number: 636-402-3
• DSSTox Substance ID: DTXSID60152559
• Nikkaji Number: J524.153G
• Wikidata: Q83019215
• ChEMBL ID: CHEMBL2375078
• Mol file: 119719-58-3.mol

Synonyms:(18-crown-6)-2,3,11,12-tetracarboxylic acid;18-crown-6 2,3,11,12-tetracarboxylic acid;18-crown-6 2,3,11,12-tetracarboxylic acid, (2R-(2R*,3R*,11r*,12R*))-isomer;18-crown-6 4COOH;18-crown-6 tetracarboxylic acid;18C6H4

Chemical Property of (2R,3R,11R,12R)-1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid

Chemical Property:

• Boiling Point: 798.9°Cat760mmHg
• Flash Point: 283.6°C
• Density: 1.399g/cm³
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 440.11660544
• Heavy Atom Count: 30
• Complexity: 480

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1COC(C(OCCOCCOC(C(OCCO1)C(=O)O)C(=O)O)C(=O)O)C(=O)O
• Isomeric SMILES: C1CO[C@H]([C@@H](OCCOCCO[C@H]([C@@H](OCCO1)C(=O)O)C(=O)O)C(=O)O)C(=O)O

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