7-O-(2,3,5-Trideoxy-3-C-formylpentafuranosyl)adriamycinone

Base Information

• Chemical Name: 7-O-(2,3,5-Trideoxy-3-C-formylpentafuranosyl)adriamycinone
• CAS No.: 100349-06-2
• Molecular Formula: C27H26 O11
• Molecular Weight: 526.48874
• DSSTox Substance ID: DTXSID40143228
• Wikidata: Q83007005
• Mol file: 100349-06-2.mol

Synonyms:7-O-(2,3,5-trideoxy-3-C-formyl-alpha-L-threo-pentafuranosyl)doxomycinone;7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone;7-TFPA

Chemical Property of 7-O-(2,3,5-Trideoxy-3-C-formylpentafuranosyl)adriamycinone

Chemical Property:

• Vapor Pressure: 3.76E-25mmHg at 25°C
• Boiling Point: 773.1°Cat760mmHg
• Flash Point: 260.6°C
• PSA: 176.89000
• Density: 1.58g/cm³
• LogP: 1.12820
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 526.14751164
• Heavy Atom Count: 38
• Complexity: 969

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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