Chemical Property of CID 128327
Chemical Property:
- Appearance/Colour:White powder
- Refractive Index:1.619
- PKA:12.14±0.70(Predicted)
- PSA:156.67000
- Density:1.38 g/cm3
- LogP:2.94870
- XLogP3:2.6
- Hydrogen Bond Donor Count:4
- Hydrogen Bond Acceptor Count:11
- Rotatable Bond Count:4
- Exact Mass:674.36661253
- Heavy Atom Count:48
- Complexity:1450
- Purity/Quality:
-
95%-98% *data from raw suppliers
Cimicifugoside *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1CC2(C3C(O3)(C(O2)O)C)OC4C1C5(C(CC67CC68CCC(C(C8CC=C7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C
- Isomeric SMILES:C[C@@H]1CC2(C3C(O3)(C(O2)O)C)O[C@@H]4[C@H]1[C@]5([C@H](CC67C[C@@]68CCC(C(C8CC=C7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C