(2R,3R)-2,3-Dihydroxy-4-oxo-4-[(propan-2-yl)oxy]butanoic acid

Base Information

• Chemical Name: (2R,3R)-2,3-Dihydroxy-4-oxo-4-[(propan-2-yl)oxy]butanoic acid
• CAS No.: 116601-09-3
• Molecular Formula: C7H12O6
• Molecular Weight: 192
• DSSTox Substance ID: DTXSID20569144
• Nikkaji Number: J267.508K
• Wikidata: Q82456225
• Mol file: 116601-09-3.mol

Synonyms:116601-09-3;(2R,3R)-2,3-Dihydroxy-4-oxo-4-[(propan-2-yl)oxy]butanoic acid;(2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid;Isopropyl tartaric acid;DTXSID20569144;(2R,3R)-2,3-DIHYDROXY-4-ISOPROPOXY-4-OXOBUTANOIC ACID

Chemical Property of (2R,3R)-2,3-Dihydroxy-4-oxo-4-[(propan-2-yl)oxy]butanoic acid

Chemical Property:

• PSA: 104.06000
• LogP: -1.25560
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 192.06338810
• Heavy Atom Count: 13
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

TartaricAcidIsopropylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C(C(C(=O)O)O)O
• Isomeric SMILES: CC(C)OC(=O)[C@@H]([C@H](C(=O)O)O)O
• Uses: Mycophenolate Mofetil (M831450) impurity.