1,2,3,5,6-Penta-O-propanoyl-D-glucofuranose

Base Information

• Chemical Name: 1,2,3,5,6-Penta-O-propanoyl-D-glucofuranose
• CAS No.: 307531-77-7
• Molecular Formula: C21H32 O11
• Molecular Weight: 460.47
• Hs Code.: 29400090
• DSSTox Substance ID: DTXSID20584190
• Mol file: 307531-77-7.mol

Synonyms:1,2,3,5,6-Penta-O-propanoyl-D-glucofuranose;307531-77-7;[(2R)-2-propanoyloxy-2-[(2R,3S,4R)-3,4,5-tri(propanoyloxy)oxolan-2-yl]ethyl] propanoate;DTXSID20584190;FXRJPQKYPCUCSK-WIJDAZEPSA-N;W-202271

Chemical Property of 1,2,3,5,6-Penta-O-propanoyl-D-glucofuranose

Chemical Property:

• Melting Point: 75-76 ºC(lit.)
• Boiling Point: 519.7±50.0 °C(Predicted)
• PSA: 140.73000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 1.58310
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 17
• Exact Mass: 460.19446183
• Heavy Atom Count: 32
• Complexity: 675

Purity/Quality:

98%Min ^*data from raw suppliers

1,2,3,5,6-Penta-O-propanoyl-b-D-glucofuranose ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OCC(C1C(C(C(O1)OC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC
• Isomeric SMILES: CCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](C(O1)OC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC