Tectoridin

Base Information

• Chemical Name: Tectoridin
• CAS No.: 611-40-5
• Molecular Formula: C₂₂H₂₂O₁₁
• Molecular Weight: 462.41
• Hs Code.: 29389090
• European Community (EC) Number: 683-150-5
• UNII: 968X515NZH
• ChEMBL ID: CHEMBL520214
• DSSTox Substance ID: DTXSID70209982
• Metabolomics Workbench ID: 70445
• Nikkaji Number: J91.432K
• Wikidata: Q10860610
• Wikipedia: Tectoridin
• Mol file: 611-40-5.mol

Synonyms:tectoridin;tectorigenin 7-glucoside

Chemical Property of Tectoridin

Chemical Property:

• Vapor Pressure: 7.19E-27mmHg at 25°C
• Melting Point: 261.8-263.2oC
• Refractive Index: 1.694
• Boiling Point: 798.1 °C at 760 mmHg
• PKA: 6.10±0.20(Predicted)
• Flash Point: 279.7 °C
• PSA: 179.28000
• Density: 1.609 g/cm³
• LogP: 0.05850
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 462.11621151
• Heavy Atom Count: 33
• Complexity: 721

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tectoridin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O
• Isomeric SMILES: COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
• Uses: Tectoridin is identified as a potent lactate dehydrogenase (LDH) inhibitor.