Chemical Property of Bruceoside A
Chemical Property:
- Vapor Pressure:0mmHg at 25°C
- Melting Point:184-189 °C
- Boiling Point:895.2°C at 760 mmHg
- PKA:12.42±0.70(Predicted)
- Flash Point:284°C
- PSA:245.04000
- Density:1.55g/cm3
- LogP:-2.36860
- XLogP3:0.1
- Hydrogen Bond Donor Count:6
- Hydrogen Bond Acceptor Count:16
- Rotatable Bond Count:8
- Exact Mass:682.24728525
- Heavy Atom Count:48
- Complexity:1440
- Purity/Quality:
-
98% *data from raw suppliers
BruceosideA ≥98% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC
- Isomeric SMILES:C[C@H]1[C@@H]2C[C@@H]3[C@@]45CO[C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)O)C(=O)OC