Chemical Property of Yuanhuacin
Chemical Property:
- Vapor Pressure:1.14E-24mmHg at 25°C
- Refractive Index:1.633
- Boiling Point:765.9°C at 760 mmHg
- PKA:11.00±0.70(Predicted)
- Flash Point:236.9°C
- PSA:144.28000
- Density:1.35g/cm3
- LogP:3.70440
- XLogP3:4.8
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:10
- Rotatable Bond Count:11
- Exact Mass:648.29344760
- Heavy Atom Count:47
- Complexity:1410
- Purity/Quality:
-
99%, *data from raw suppliers
Yuanhuacine ≥98% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(C(C3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO
- Isomeric SMILES:CCCCC/C=C/C=C/C12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO