Chemical Property of Bistheonellide A
Chemical Property:
- Vapor Pressure:0mmHg at 25°C
- Boiling Point:1219.7°Cat760mmHg
- PKA:13.95±0.70(Predicted)
- Flash Point:303.6°C
- PSA：288.28000
- Density:1.16g/cm3
- LogP:8.99580
- XLogP3:9.9
- Hydrogen Bond Donor Count:8
- Hydrogen Bond Acceptor Count:20
- Rotatable Bond Count:16
- Exact Mass:1336.89989647
- Heavy Atom Count:94
- Complexity:2160
- Purity/Quality:
-
BISTHEONELLIDE A 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(C(C(CC3CC=CC(O3)CC(CC=C(C(=O)OC(C(C(CC(C(C(CC4CC=CC(O4)CC(CC=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)C)O)O)C)O)OC
- Isomeric SMILES:C[C@@H]1O[C@H](C[C@@H](C1)OC)CC[C@@H]([C@H](O)[C@@H]([C@H]2OC(=O)/C(=C/C[C@@H](C[C@H]3O[C@H](C[C@@H]([C@H]([C@H](C[C@H]([C@@H]([C@H](OC(=O)/C(=C/C[C@@H](C[C@H]4O[C@H](C[C@@H]([C@H]([C@H](C[C@H]([C@@H]2C)O)O)C)OC)CC=C4)O)/C)[C@H]([C@@H](O)[C@H](CC[C@@H]5O[C@H](C[C@H](C5)OC)C)C)C)C)O)O)C)OC)CC=C3)O)/C)C)C
