7-O-(2,6-Dideoxy-2-fluorotalopyranose)adriamycinone

Base Information

• Chemical Name: 7-O-(2,6-Dideoxy-2-fluorotalopyranose)adriamycinone
• CAS No.: 103930-51-4
• Molecular Formula: C27H27 F O12
• Molecular Weight: 562.4944832
• DSSTox Substance ID: DTXSID70146146
• Nikkaji Number: J443.100F
• Wikidata: Q83010882
• Mol file: 103930-51-4.mol

Synonyms:7-O-(2,6-dideoxy-2-fluorotalopyranose)adriamycinone;DFTA;FT-ADM

Chemical Property of 7-O-(2,6-Dideoxy-2-fluorotalopyranose)adriamycinone

Chemical Property:

• Vapor Pressure: 1.87E-28mmHg at 25°C
• Boiling Point: 820°Cat760mmHg
• Flash Point: 449.7°C
• PSA: 200.28000
• Density: 1.67g/cm³
• LogP: -0.01710
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 5
• Exact Mass: 562.14865445
• Heavy Atom Count: 40
• Complexity: 1010

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)F)O)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)F)O)O