Chemical Property of CID 6440829
Chemical Property:
- Vapor Pressure:0mmHg at 25°C
- Boiling Point:1247.6°C at 760 mmHg
- PKA:14.42±0.70(Predicted)
- Flash Point:308.2°C
- PSA：288.28000
- Density:1.16g/cm3
- LogP:9.86220
- XLogP3:10.1
- Hydrogen Bond Donor Count:8
- Hydrogen Bond Acceptor Count:20
- Rotatable Bond Count:16
- Exact Mass:1374.91554653
- Heavy Atom Count:97
- Complexity:2450
- Purity/Quality:
-
85.0-99.8% *data from raw suppliers
SWINHOLIDE B 95.00% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1CC(CC(O1)CCC(C)C(C(C)C2C(C(CC(CC(CC3CC=CC(O3)CC(CC=C(C=CC(=O)OC(C(C(CC(C(C(CC4CC=CC(O4)CC(CC=C(C=CC(=O)O2)C)O)OC)C)O)O)C)C(C)C(C(C)CCC5CC(CC(O5)C)OC)O)C)O)OC)O)O)C)O)OC
- Isomeric SMILES:CC1CC(CC(O1)CCC(C)C(C(C)C2C(C(CC(CC(CC3CC=CC(O3)CC(C/C=C(/C=C\C(=O)OC(C(C(CC(C(C(CC4CC=CC(O4)CC(C/C=C(/C=C\C(=O)O2)\C)O)OC)C)O)O)C)C(C)C(C(C)CCC5CC(CC(O5)C)OC)O)\C)O)OC)O)O)C)O)OC
