(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Base Information

• Chemical Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
• CAS No.: 815-92-9
• Deprecated CAS: 162222-91-5,165659-51-8,50933-92-1,8012-24-6,80206-31-1,8030-23-7,111688-73-4,111688-73-4,165659-51-8,2280-44-6,8012-24-6,80206-31-1,8030-23-7
• Molecular Formula: C6H12 O6
• Molecular Weight: 180.1559
• UNII: 5SL0G7R0OK
• DSSTox Substance ID: DTXSID7022910,DTXSID4048729
• Nikkaji Number: J4.109B
• Wikidata: Q21036645
• Metabolomics Workbench ID: 52322
• ChEMBL ID: CHEMBL448805
• Mol file: 815-92-9.mol

Synonyms:Anhydrous Dextrose;D Glucose;D-Glucose;Dextrose;Dextrose, Anhydrous;Glucose;Glucose Monohydrate;Glucose, (alpha-D)-Isomer;Glucose, (beta-D)-Isomer;Glucose, (DL)-Isomer;Glucose, (L)-Isomer;L Glucose;L-Glucose;Monohydrate, Glucose

Chemical Property of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Chemical Property:

• Appearance/Colour: aqueous solution
• Melting Point: 146oC
• Boiling Point: 527.1 °C at 760 mmHg
• Flash Point: 286.7 °C
• PSA: 118.22000
• Density: 1.581 g/cm³
• LogP: -3.37880
• Storage Temp.: 2-8°C
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 180.06338810
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): R,F,Xi
• Hazard Codes: R,F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(C(C(C=O)O)O)O)O)O
• Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O
• Recent EU Clinical Trials: Acute gastroenteritis in paediatrics :