Arabinonic acid, methyl ester

Base Information

• Chemical Name: Arabinonic acid, methyl ester
• CAS No.: 23009-76-9
• Deprecated CAS: 16752-02-6
• Molecular Formula: C6H12 O6
• Molecular Weight: 180.15588
• European Community (EC) Number: 245-379-5
• UNII: X97BTQ3ZKT
• DSSTox Substance ID: DTXSID70884859
• Nikkaji Number: J312.549A
• Wikidata: Q76006128
• Mol file: 23009-76-9.mol

Synonyms:Methyl arabinonate;15909-68-9;D-Arabinonic acid, methyl ester;D-Arabinoic acid methyl ester;X97BTQ3ZKT;Arabinonic acid, methyl ester;EINECS 245-379-5;methyl (2S,3R,4R)-2,3,4,5-tetrahydroxypentanoate;NSC 80653;NSC-80653;UNII-X97BTQ3ZKT;SCHEMBL5579280;DTXSID70884859;ARABINONIC ACID, METHYL ESTER, DL-;WURCS=2.0/1,1,0/[A122h_1*OC]/1/

Chemical Property of Arabinonic acid, methyl ester

Chemical Property:

• Vapor Pressure: 2.19E-08mmHg at 25°C
• Boiling Point: 408.7°Cat760mmHg
• Flash Point: 172.1°C
• PSA: 107.22000
• Density: 1.474g/cm³
• LogP: -2.76560
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 180.06338810
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

METHYL-2,3,4,5-TETRAHYDROXYPENTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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