4(G)-alpha-Glucopyranosyl-rutin

Base Information

• Chemical Name: 4(G)-alpha-Glucopyranosyl-rutin
• CAS No.: 130603-71-3
• Molecular Formula: C33H40 O21
• Molecular Weight: 432.5928
• European Community (EC) Number: 424-170-4
• DSSTox Substance ID: DTXSID20156634
• Nikkaji Number: J393.780A
• Wikidata: Q76309681
• Mol file: 130603-71-3.mol

Synonyms:4(G)-alpha-glucopyranosyl-rutin;alpha G-rutin;alpha-glucosylrutin;alphaG-rutin;Glu-rutin

Chemical Property of 4(G)-alpha-Glucopyranosyl-rutin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1134.1°Cat760mmHg
• PKA: 6.17±0.40(Predicted)
• Flash Point: 355.6°C
• PSA: 348.58000
• Density: 1.84g/cm³
• LogP: -3.86290
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 9
• Exact Mass: 772.20620828
• Heavy Atom Count: 54
• Complexity: 1320

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O