Chemical Property of thonningianin A
Chemical Property:
- Boiling Point:1364.1±65.0 °C(Predicted)
- PKA:6.80±0.40(Predicted)
- PSA：357.19000
- Density:1.89±0.1 g/cm3(Predicted)
- LogP:3.01690
- XLogP3:3.8
- Hydrogen Bond Donor Count:12
- Hydrogen Bond Acceptor Count:21
- Rotatable Bond Count:9
- Exact Mass:874.15925809
- Heavy Atom Count:63
- Complexity:1590
- Purity/Quality:
-
≥98% *data from raw suppliers
Thonningianin A *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:C1C2C(C(C(C(O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
- Isomeric SMILES:C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
