Chemical Property of Hexandraside B
Chemical Property:
- Vapor Pressure:0mmHg at 25°C
- Boiling Point:1104.8°Cat760mmHg
- PKA:5.90±0.40(Predicted)
- Flash Point:330.2°C
- PSA：323.42000
- Density:1.58g/cm3
- LogP:-1.53710
- XLogP3:0.1
- Hydrogen Bond Donor Count:10
- Hydrogen Bond Acceptor Count:21
- Rotatable Bond Count:14
- Exact Mass:880.30010866
- Heavy Atom Count:62
- Complexity:1580
- Purity/Quality:
-
85.0-99.8% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)COC(=O)C)O)O)O)O
- Isomeric SMILES:C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)COC(=O)C)O)O)O)O
