(3S,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid

Base Information

• Chemical Name: (3S,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid
• CAS No.: 342385-52-8
• Molecular Formula: C6H10O7
• Molecular Weight: 193.13
• Hs Code.: 2918990090
• European Community (EC) Number: 627-666-0
• Nikkaji Number: J383.015B
• Metabolomics Workbench ID: 67122
• Mol file: 342385-52-8.mol

Synonyms:16722-49-9;(3S,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid;(3S,4S,5R)-3,4,5,6-tetrahydroxy-2-keto-hexanoic acid;2-Dehydro-D-galactonate;342385-52-8;SCHEMBL5807374;L-Xylo-2-Hexulosonic Acid Hydrate;AKOS015894428;AC-11922;C03342;(3S,4S,5R)-3,4,5,6-tetrahydroxy-2-oxo-hexanoic acid

Chemical Property of (3S,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid

Chemical Property:

• Appearance/Colour: beige crystalline powder
• Vapor Pressure: 2.04E-14mmHg at 25°C
• Melting Point: 159-162 °C
• Refractive Index: 1.593
• Boiling Point: 550.6 °C at 760 mmHg
• Flash Point: 300.9 °C
• PSA: 135.29000
• Density: 1.757g/cm³
• LogP: -3.28490
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Water (Slightly)
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 194.04265265
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Keto-L-gulonic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(C(C(=O)C(=O)O)O)O)O)O
• Isomeric SMILES: C([C@H]([C@@H]([C@@H](C(=O)C(=O)O)O)O)O)O
• Uses: L-xylo-2-Hexulosonic Acid Hydrate is the direct precursor of vitamin C (A786990); a physiological antioxidant and coenzyme for a number of hydroxylation reactions. Required for collagen synthesis and widely distributed in plants and animals. Inadequate intake results in deficiency syndromes such as scurvy. Also used as an antimicrobial and antioxidant in foodstuffs. 2-Keto-L-gulonic Acid is used in biological studies for the formation of sorbitol metabolism by Acetobacter melanogenus.