Dexamethasone 21-tributylacetate

Base Information

• Chemical Name: Dexamethasone 21-tributylacetate
• CAS No.: 78901-95-8
• Molecular Formula: C36H55 F O6
• Molecular Weight: 602.8167032
• DSSTox Substance ID: DTXSID801000132
• Wikidata: Q82993543
• Mol file: 78901-95-8.mol

Synonyms:dexamethasone 21-tributylacetate;DMTBA

Chemical Property of Dexamethasone 21-tributylacetate

Chemical Property:

• Vapor Pressure: 1.06E-21mmHg at 25°C
• Boiling Point: 684.6°C at 760 mmHg
• Flash Point: 367.9°C
• PSA: 100.90000
• Density: 1.14g/cm³
• LogP: 7.00360
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 602.39826763
• Heavy Atom Count: 43
• Complexity: 1120

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(CCCC)(CCCC)C(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)O
• Isomeric SMILES: CCCCC(CCCC)(CCCC)C(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O