Ursodeoxycholyl N-carboxymethylglycine

Base Information

• Chemical Name: Ursodeoxycholyl N-carboxymethylglycine
• CAS No.: 99956-32-8
• Molecular Formula: C28H45NO7
• Molecular Weight: 507.6594
• DSSTox Substance ID: DTXSID70912368
• Mol file: 99956-32-8.mol

Synonyms:UDC-CMG;ursodeoxycholyl N-carboxymethylglycine

Chemical Property of Ursodeoxycholyl N-carboxymethylglycine

Chemical Property:

• Boiling Point: 704.4°Cat760mmHg
• Flash Point: 379.8°C
• Density: 1.229g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 507.31960277
• Heavy Atom Count: 36
• Complexity: 847

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MSDS Files:

Useful:

• Canonical SMILES: CC(CCC(=O)N(CC(=O)O)CC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
• Isomeric SMILES: C[C@H](CCC(=O)N(CC(=O)O)CC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CCC3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

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