Chemical Property of 21-Aminoepothilone B
Chemical Property:
- Boiling Point:703.1±60.0 °C(Predicted)
- PKA:13.57±0.70(Predicted)
- PSA：163.51000
- Density:1.160
- LogP:4.32810
- XLogP3:2.7
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:9
- Rotatable Bond Count:3
- Exact Mass:522.27635824
- Heavy Atom Count:36
- Complexity:835
- Purity/Quality:
-
98%,99%, *data from raw suppliers
21-AMINOEPOTHILONE B 95.00% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)CN)C)C
- Isomeric SMILES:C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)CN)/C)C
