Propioxatin A

Base Information

• Chemical Name: Propioxatin A
• CAS No.: 102962-94-7
• Molecular Formula: C17H29 N3 O6
• Molecular Weight: 371.43
• DSSTox Substance ID: DTXSID20908135
• Nikkaji Number: J128.610B
• Wikidata: Q82877533
• Mol file: 102962-94-7.mol

Synonyms:propioxatin A

Chemical Property of Propioxatin A

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 3.70±0.10(Predicted)
• Flash Point: °C
• Density: 1.242g/cm³
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 371.20563565
• Heavy Atom Count: 26
• Complexity: 537

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(CC(=O)NO)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)O
• Isomeric SMILES: CCC[C@H](CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)O