Chemical Property of Brucein D
Chemical Property:
- Vapor Pressure:2.65E-20mmHg at 25°C
- Melting Point:294-295℃
- Boiling Point:661.3°Cat760mmHg
- PKA:11.55±0.70(Predicted)
- Flash Point:235.8°C
- PSA：153.75000
- Density:1.6g/cm3
- LogP:-1.95320
- Storage Temp.:2-8°C
- XLogP3:-2.4
- Hydrogen Bond Donor Count:5
- Hydrogen Bond Acceptor Count:9
- Rotatable Bond Count:0
- Exact Mass:410.15768240
- Heavy Atom Count:29
- Complexity:855
- Purity/Quality:
-
99%, *data from raw suppliers
Bruceine D 95+% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C)O
- Isomeric SMILES:CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@]4([C@H](C(=O)O3)O)O)(OC5)C)O)O)C)O
