[2,13-Dioxo-16-(2-phenylacetyl)oxy-8-oxa-22,23,24,25-tetrathia-3,14-diazahexacyclo[10.9.4.01,14.03,12.04,10.015,20]pentacosa-6,9,17,19-tetraen-5-yl] 2-hydroxy-2-phenylacetate

Base Information

• Chemical Name: [2,13-Dioxo-16-(2-phenylacetyl)oxy-8-oxa-22,23,24,25-tetrathia-3,14-diazahexacyclo[10.9.4.01,14.03,12.04,10.015,20]pentacosa-6,9,17,19-tetraen-5-yl] 2-hydroxy-2-phenylacetate
• CAS No.: 125187-54-4
• Molecular Formula: C₃₄H₂₈N₂O₈S₄
• Molecular Weight: 720.869
• DSSTox Substance ID: DTXSID40925041
• Wikidata: Q82899286
• Mol file: 125187-54-4.mol

Synonyms:emethallicin B

Chemical Property of [2,13-Dioxo-16-(2-phenylacetyl)oxy-8-oxa-22,23,24,25-tetrathia-3,14-diazahexacyclo[10.9.4.01,14.03,12.04,10.015,20]pentacosa-6,9,17,19-tetraen-5-yl] 2-hydroxy-2-phenylacetate

Chemical Property:

• PKA: 11.95±0.20(Predicted)
• PSA: 223.88000
• Density: 1.635g/cm³
• LogP: 4.88550
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 720.07285055
• Heavy Atom Count: 48
• Complexity: 1490

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=CC=CC(C2N3C14C(=O)N5C6C(C=COC=C6CC5(C3=O)SSSS4)OC(=O)C(C7=CC=CC=C7)O)OC(=O)CC8=CC=CC=C8