Chemical Property of CID 5748168
Chemical Property:
- Vapor Pressure:0mmHg at 25°C
- Refractive Index:1.908
- Boiling Point:1320.496 °C at 760 mmHg
- Flash Point:401.727 °C
- PSA：351.12000
- Density:1.97 g/cm3
- LogP:4.17640
- XLogP3:1.5
- Hydrogen Bond Donor Count:13
- Hydrogen Bond Acceptor Count:20
- Rotatable Bond Count:8
- Exact Mass:868.14869341
- Heavy Atom Count:63
- Complexity:1950
- Purity/Quality:
-
98% *data from raw suppliers
Theaflavin digallate *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4OC(=O)C5=CC(=C(C(=C5)O)O)O)O)C6C(CC7=C(C=C(C=C7O6)OC(=O)C8=CC(=C(C(=C8)O)O)O)O)O)O)O
- Isomeric SMILES:C1[C@H]([C@H](OC2=CC(=CC(=C21)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C5=C(C(=O)C=C(C=C45)C6[C@@H](CC7=C(C=C(C=C7O6)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)O)O
