1,2-O-isopropylidene-alpha-D-5-deoxyglucurono-6,3-lactone

Base Information

• Chemical Name: 1,2-O-isopropylidene-alpha-D-5-deoxyglucurono-6,3-lactone
• CAS No.: 7057-10-5
• Molecular Formula: C₉H₁₂O₅
• Molecular Weight: 200.191
• European Community (EC) Number: 808-290-8
• Nikkaji Number: J2.278.491I
• Mol file: 7057-10-5.mol

Synonyms:7057-10-5;SCHEMBL13428987;AC-33219;1,2-O-isopropylidene-alpha-D-5-deoxyglucurono-6,3-lactone;1-O,2-O-Isopropylidene-5-deoxy-alpha-D-glucofuranuronic acid 6,3-lactone;(1S,2R,6R,8R)-4,4-Dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one

Chemical Property of 1,2-O-isopropylidene-alpha-D-5-deoxyglucurono-6,3-lactone

Chemical Property:

• Melting Point: 72-73 °C
• Boiling Point: 339.7±42.0 °C(Predicted)
• PSA: 53.99000
• Density: 1.281±0.06 g/cm3(Predicted)
• LogP: 0.17830
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 200.06847348
• Heavy Atom Count: 14
• Complexity: 287

Purity/Quality:

≥95% ^*data from raw suppliers

(3aR,3bS,6aR,7aR)-2,2-Dimethyltetrahydrofuro[2',3':4,5]furo[2,3-d][1,3]dioxol-5(3aH)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(OC2C3C(CC(=O)O3)OC2O1)C
• Isomeric SMILES: CC1(O[C@@H]2[C@@H]3[C@@H](CC(=O)O3)O[C@@H]2O1)C