Methyl 2-keto-L-gulonate

Base Information

• Chemical Name: Methyl 2-keto-L-gulonate
• CAS No.: 3031-98-9
• Deprecated CAS: 151377-73-0
• Molecular Formula: C7H12 O7
• Molecular Weight: 208.168
• Hs Code.: 2918990090
• European Community (EC) Number: 608-464-1
• NSC Number: 163924
• UNII: IF3VWH6PCF
• DSSTox Substance ID: DTXSID50184405
• Nikkaji Number: J14.987J
• Mol file: 3031-98-9.mol

Synonyms:3031-98-9;Methyl 2-keto-L-gulonate;(3S,4R,5S)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate;L-xylo-2-Hexulosonic acid, methyl ester;Methyl L-xylo-hexulosonate;methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate;Xylohexulosonic acid, methyl ester;2-Keto-L-gulonic acid methyl ester;methyl L-sorbosonate;IF3VWH6PCF;UNII-IF3VWH6PCF;NSC 163924;NSC-163924;Gulonic acid, 2-keto-, methyl ester, L-;Methyl L-xylohexulosonate;WLN: Q1YQYQYQVVO1;DTXSID50184405;MFCD00021987;NSC163924;METHYL L-XYLO-HEX-2-ULOSONATE;AM806609;LS-162660;CS-0150930;ASCORBIC ACID IMPURITY D [EP IMPURITY];D81974;2-KETO-L-GULONIC ACID METHYL ESTER [MI];A876219;Methyl L-xylo-Hex-2-ulosonate (Methyl L-Sorbosonate);Q27280695

Chemical Property of Methyl 2-keto-L-gulonate

Chemical Property:

• Vapor Pressure: 6.81E-12mmHg at 25°C
• Melting Point: 158-159℃
• Boiling Point: 495.4°Cat760mmHg
• PKA: 11.28±0.20(Predicted)
• Flash Point: 204.6°C
• PSA: 124.29000
• Density: 1.532g/cm³
• LogP: -3.19650
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Water (Slightly, Sonicated)
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 208.05830272
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

99%min ^*data from raw suppliers

(3S,4R,5S)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=O)C(C(C(CO)O)O)O
• Isomeric SMILES: COC(=O)C(=O)[C@H]([C@@H]([C@H](CO)O)O)O
• Uses: L-xylo-2-Hexulosonic Acid, Methyl Ester is an intermediate in the synthesis of Vitamin C (A786990),a physiological antioxidant, an essential nutrients and a cofactor in various enzyme catalyzed reactions.