[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(E)-3-oxoprop-1-enoxy]oxan-2-yl]methyl acetate

Base Information

• Chemical Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(E)-3-oxoprop-1-enoxy]oxan-2-yl]methyl acetate
• CAS No.: 106758-59-2
• Molecular Formula: C₁₇H₂₂O₁₁
• Molecular Weight: 402.355
• DSSTox Substance ID: DTXSID601164607
• Nikkaji Number: J1.855.723A,J1.935.544F
• Mol file: 106758-59-2.mol

Synonyms:DTXSID601164607;106758-59-2;(2E)-3-[(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-2-propenal

Chemical Property of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(E)-3-oxoprop-1-enoxy]oxan-2-yl]methyl acetate

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 402.11621151
• Heavy Atom Count: 28
• Complexity: 627

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OC=CC=O)OC(=O)C)OC(=O)C)OC(=O)C
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O/C=C/C=O)OC(=O)C)OC(=O)C)OC(=O)C