Saframycin Mx1

Base Information

• Chemical Name: Saframycin Mx1
• CAS No.: 113036-78-5
• Molecular Formula: C29H38 N4 O9
• Molecular Weight: 586.63
• DSSTox Substance ID: DTXSID30150269
• Wikidata: Q83016284
• Mol file: 113036-78-5.mol

Synonyms:saframycin Mx1

Chemical Property of Saframycin Mx1

Chemical Property:

• Vapor Pressure: 1.2E-24mmHg at 25°C
• Boiling Point: 765.6°Cat760mmHg
• PKA: 10.15±0.70(Predicted)
• Flash Point: 416.8°C
• PSA: 187.61000
• Density: 1.46g/cm³
• LogP: 1.48090
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 586.26387880
• Heavy Atom Count: 42
• Complexity: 1210

Purity/Quality:

SAFRAMYCIN MX1 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(C3C4CC5=C(C(N4C(C(C2OC)N3C)O)CNC(=O)C(C)N)C(=O)C(=C(C5=O)C)OC)C(=C1OC)O)O
• Isomeric SMILES: CC1=C(C2=C([C@H]3[C@@H]4CC5=C([C@@H](N4[C@H]([C@@H]([C@H]2OC)N3C)O)CNC(=O)[C@H](C)N)C(=O)C(=C(C5=O)C)OC)C(=C1OC)O)O