5-Amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid

Base Information

• Chemical Name: 5-Amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid
• CAS No.: 115857-47-1
• Molecular Formula: C12H25 N O4
• Molecular Weight: 247.33
• DSSTox Substance ID: DTXSID40921826
• Wikidata: Q82894928
• Mol file: 115857-47-1.mol

Synonyms:5-ADIMOA;5-amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid

Chemical Property of 5-Amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid

Chemical Property:

• Vapor Pressure: 9.25E-10mmHg at 25°C
• Boiling Point: 444.3°Cat760mmHg
• PKA: 4.03±0.36(Predicted)
• Flash Point: 222.5°C
• PSA: 103.78000
• Density: 1.113g/cm³
• LogP: 1.13870
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 247.17835828
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(C(C(C(C)C)C(=O)O)O)O)N
• Isomeric SMILES: CC(C)C[C@@H]([C@H]([C@@H]([C@@H](C(C)C)C(=O)O)O)O)N