beta-D-Glucopyranoside, 3-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate

Base Information

• Chemical Name: beta-D-Glucopyranoside, 3-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate
• CAS No.: 113270-18-1
• Molecular Formula: C20H22 O9
• DSSTox Substance ID: DTXSID401163972
• Wikidata: Q105362883
• Mol file: 113270-18-1.mol

Synonyms:DTXSID401163972;beta-D-Glucopyranoside, 3-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate;113270-18-1

Chemical Property of beta-D-Glucopyranoside, 3-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 406.12638228
• Heavy Atom Count: 29
• Complexity: 524

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=CC(=C(C=C3)CO)O)O)O)O
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C=C3)CO)O)O)O)O