Isostatin

Base Information

• Chemical Name: Isostatin
• CAS No.: 114607-51-1
• Molecular Formula: C8H17 N O3
• Molecular Weight: 175.2255
• DSSTox Substance ID: DTXSID20150798
• Nikkaji Number: J471.062B
• Wikidata: Q76280446
• Mol file: 114607-51-1.mol

Synonyms:Isostatin;114607-51-1;Heptanoic acid, 4-amino-3-hydroxy-5-methyl-, (3R*,4S*,5S*)-;L-Isostatine B;DTXSID20150798;LS-74365

Chemical Property of Isostatin

Chemical Property:

• Vapor Pressure: 1.83E-06mmHg at 25°C
• Boiling Point: 355.1°Cat760mmHg
• Flash Point: 168.5°C
• Density: 1.112g/cm³
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 175.12084340
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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