(2S,3R,4R)-2,3,4-trihydroxy-6-oxoheptanedioic acid

Base Information

• Chemical Name: (2S,3R,4R)-2,3,4-trihydroxy-6-oxoheptanedioic acid
• CAS No.: 117144-05-5
• Molecular Formula: C7H10 O8
• Molecular Weight: 222.15
• Mol file: 117144-05-5.mol

Synonyms:3-deoxy-2-heptulosaric acid;3-deoxy-lyxo-2-heptulosaric acid;3-deoxylyxo-2-heptulosaric acid;DLHL acid

Chemical Property of (2S,3R,4R)-2,3,4-trihydroxy-6-oxoheptanedioic acid

Chemical Property:

• Vapor Pressure: 9.91E-19mmHg at 25°C
• Boiling Point: 633.8°Cat760mmHg
• Flash Point: 351.1°C
• PSA: 152.36000
• Density: 1.79g/cm³
• LogP: -2.80250
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 222.03756727
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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