Pirlimycin adenylate

Base Information

• Chemical Name: Pirlimycin adenylate
• CAS No.: 85643-04-5
• Molecular Formula: C27H43ClN7O11PS
• Molecular Weight: 740.162381
• DSSTox Substance ID: DTXSID10234894
• Wikidata: Q83116741
• Mol file: 85643-04-5.mol

Synonyms:pirlimycin adenylate;U 63440;U-63,440

Chemical Property of Pirlimycin adenylate

Chemical Property:

• PSA: 304.49000
• Density: 1.83g/cm³
• LogP: 0.98020
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 12
• Exact Mass: 739.2167411
• Heavy Atom Count: 48
• Complexity: 1150

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CCNC(C1)C(=O)NC(C2C(C(C(C(O2)SC)O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)C(C)Cl
• Isomeric SMILES: CC[C@H]1CCN[C@@H](C1)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)[C@H](C)Cl