Chemical Property of Cucurbitacin IIa
Chemical Property:
- Vapor Pressure:2.3E-21mmHg at 25°C
- Refractive Index:1.563
- Boiling Point:679.1 °C at 760 mmHg
- PKA:12.81±0.29(Predicted)
- Flash Point:209.7 °C
- PSA:141.36000
- Density:1.22 g/cm3
- LogP:3.51510
- XLogP3:2.6
- Hydrogen Bond Donor Count:4
- Hydrogen Bond Acceptor Count:8
- Rotatable Bond Count:7
- Exact Mass:562.35056855
- Heavy Atom Count:40
- Complexity:1120
- Purity/Quality:
-
99%, *data from raw suppliers
Hemslecin A *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC(=O)OC(C)(C)CCC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(C4(C)C)O)O)C)C)C)O)O
- Isomeric SMILES:CC(=O)OC(C)(C)CCC(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H]([C@H](C4(C)C)O)O)C)C)C)O)O