Hydroxyisoleucine

Base Information

• Chemical Name: Hydroxyisoleucine
• CAS No.: 781658-23-9
• Molecular Formula: C6H13NO3
• Molecular Weight: 147.174
• Hs Code.: 2922505000
• UNII: 4SWT01T54O
• DSSTox Substance ID: DTXSID90203947
• Nikkaji Number: J1.307.775D
• Wikidata: Q27147705
• Metabolomics Workbench ID: 87113
• ChEMBL ID: CHEMBL508094
• Mol file: 781658-23-9.mol

Synonyms:(2S,3S,4R)-gamma-hydroxyisoleucine;hydroxyisoleucine

Chemical Property of Hydroxyisoleucine

Chemical Property:

• Vapor Pressure: 1.11E-05mmHg at 25°C
• Melting Point: >200°C
• Refractive Index: 1.495
• Boiling Point: 331.6 °C at 760 mmHg
• PKA: 2.41±0.25(Predicted)
• Flash Point: 154.4 °C
• PSA: 83.55000
• Density: 1.181 g/cm³
• LogP: 0.11550
• Storage Temp.: Hygroscopic, -20?C Freezer, Under Inert Atmosphere
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 147.08954328
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

95%-98% ^*data from raw suppliers

4-Hydroxy-L-isoleucine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C)O)C(C(=O)O)N
• Isomeric SMILES: C[C@@H]([C@H](C)O)[C@@H](C(=O)O)N
• Uses: 4-Hydroxy-L-isoleucine is used as a treatment for type II diabetes.