Terchebin

Base Information

• Chemical Name: Terchebin
• CAS No.: 20598-45-2
• Molecular Formula: C41H30O27
• Molecular Weight: 954.6607
• Wikidata: Q104396012
• ChEMBL ID: CHEMBL525928

Synonyms:Terchebin;20598-45-2;beta-D-Glucopyranose, cyclic 2-7:4-5-(3,6-dihydro-2,9.10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) 1,3,6-tris(3,4,5-trihydroxybenzoate), (2(2S))-;CHEMBL525928;C41H30O27

Chemical Property of Terchebin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1434.3°Cat760mmHg
• Flash Point: 431.6°C
• Density: 2.16g/cm³
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 10
• Exact Mass: 954.09744568
• Heavy Atom Count: 68
• Complexity: 1990

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O6)O)(O)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
• Isomeric SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@@H]7C(=CC(=O)C(C7(O6)O)(O)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O

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