beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-7-(((methylamino)carbonyl)oxy)-3-benzofuranyl

Base Information

• Chemical Name: beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-7-(((methylamino)carbonyl)oxy)-3-benzofuranyl
• CAS No.: 53305-32-1
• Molecular Formula: C18H23 N O10
• Molecular Weight: 413.3759
• DSSTox Substance ID: DTXSID50967896

Synonyms:3-Hydroxycarbofuran glucuronide;53305-32-1;beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-7-(((methylamino)carbonyl)oxy)-3-benzofuranyl;DTXSID50967896;C18H23NO10;C18-H23-N-O10;7-[Hydroxy(methylimino)methoxy]-2,2-dimethyl-2,3-dihydro-1-benzofuran-3-yl hexopyranosiduronic acid

Chemical Property of beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-7-(((methylamino)carbonyl)oxy)-3-benzofuranyl

Chemical Property:

• Vapor Pressure: 4.42E-16mmHg at 25°C
• Boiling Point: 617°Cat760mmHg
• Flash Point: 326.9°C
• Density: 1.54g/cm³
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 413.13219593
• Heavy Atom Count: 29
• Complexity: 628

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)OC3C(C(C(C(O3)C(=O)O)O)O)O)C
• Isomeric SMILES: CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C

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