Chemical Property of Antibiotic K 41
Chemical Property:
- Melting Point:158-160 °C
- Boiling Point:913.8°Cat760mmHg
- PKA:3.48±0.11(Predicted)
- Flash Point:252.7°C
- PSA：217.98000
- Density:1.25g/cm3
- LogP:3.94180
- XLogP3:3.9
- Hydrogen Bond Donor Count:4
- Hydrogen Bond Acceptor Count:18
- Rotatable Bond Count:14
- Exact Mass:946.55011576
- Heavy Atom Count:66
- Complexity:1660
- Purity/Quality:
-
95% *data from raw suppliers
K-41 *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1C(OC(C(C1OC2CCC(C(O2)C)OC)C)(C)O)C3CCC(O3)C4CCC(O4)C5(C(C(C6(O5)C(C(CC(O6)CC7C(C(C(C(O7)(C(C(=O)O)O)O)C)OC)(C)OC)OC)C)C)OC)C
- Isomeric SMILES:C[C@@H]1[C@H](O[C@]([C@@H]([C@H]1O[C@H]2CC[C@@H]([C@H](O2)C)OC)C)(C)O)[C@H]3CC[C@@H](O3)[C@@H]4CC[C@@H](O4)[C@@]5([C@@H]([C@H]([C@@]6(O5)[C@@H]([C@@H](C[C@H](O6)C[C@H]7[C@]([C@H]([C@@H]([C@](O7)([C@H](C(=O)O)O)O)C)OC)(C)OC)OC)C)C)OC)C
