Chemical Property of CID 442005
Chemical Property:
- Boiling Point:°Cat760mmHg
- Flash Point:°C
- PSA：266.48000
- Density:1.52g/cm3
- LogP:3.82860
- XLogP3:1.2
- Hydrogen Bond Donor Count:5
- Hydrogen Bond Acceptor Count:16
- Rotatable Bond Count:12
- Exact Mass:726.22272772
- Heavy Atom Count:48
- Complexity:1470
- Purity/Quality:
-
99% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC(C)CC(=O)OC1C(C(C(OC1OC2CC(C3CCC45CC(CCC4C3(C2)C)C(=C)C5O)C(=O)O)CO)OS(=O)(=O)O)OS(=O)(=O)O
- Isomeric SMILES:CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45C[C@@H](CC[C@H]4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)O)OS(=O)(=O)O
