1,3,6-Tmaqag

Base Information

• Chemical Name: 1,3,6-Tmaqag
• CAS No.: 132367-98-7
• Molecular Formula: C23H22 O11
• Molecular Weight: 474.41
• DSSTox Substance ID: DTXSID20927644
• Wikidata: Q27137876
• Mol file: 132367-98-7.mol

Synonyms:1,3,6-TMAQAG;1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-acetylglucoside)

Chemical Property of 1,3,6-Tmaqag

Chemical Property:

• Boiling Point: 766.9°Cat760mmHg
• Flash Point: 266.5°C
• PSA: 180.05000
• Density: 1.59g/cm³
• LogP: -0.06890
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 474.11621151
• Heavy Atom Count: 34
• Complexity: 802

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O)OC4C(C(C(C(O4)COC(=O)C)O)O)O
• Isomeric SMILES: CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O)O)O

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