Chemical Property of Behenyl-coenzyme A
Chemical Property:
- Refractive Index:1.613
- Boiling Point:°Cat760mmHg
- PKA:1.16±0.50(Predicted)
- Flash Point:°C
- PSA:425.34000
- Density:1.46g/cm3
- LogP:8.74840
- XLogP3:4.9
- Hydrogen Bond Donor Count:9
- Hydrogen Bond Acceptor Count:22
- Rotatable Bond Count:40
- Exact Mass:1089.43877621
- Heavy Atom Count:71
- Complexity:1730
- Purity/Quality:
-
99% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
- Isomeric SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O