(6R)-7,9-Dibromo-N-[3-[2,6-dibromo-4-[2-[[(6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

Base Information

• Chemical Name: (6R)-7,9-Dibromo-N-[3-[2,6-dibromo-4-[2-[[(6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
• CAS No.: 73622-22-7
• Molecular Formula: C₃₁H₃₀Br₆N₄O₁₁
• Molecular Weight: 1114.02
• DSSTox Substance ID: DTXSID90994404
• Wikidata: Q82985325
• Mol file: 73622-22-7.mol

Synonyms:11-epi-fistularin-3;fistularin 3

Chemical Property of (6R)-7,9-Dibromo-N-[3-[2,6-dibromo-4-[2-[[(6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

Chemical Property:

• PSA: 209.99000
• Density: 2.19g/cm³
• LogP: 3.71270
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 12
• Exact Mass: 1113.69499
• Heavy Atom Count: 52
• Complexity: 1610

Purity/Quality:

≥98% （HPLC） ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(C2(CC(=NO2)C(=O)NCC(COC3=C(C=C(C=C3Br)C(CNC(=O)C4=NOC5(C4)C=C(C(=C(C5O)Br)OC)Br)O)Br)O)C=C1Br)O)Br
• Isomeric SMILES: COC1=C([C@@H](C2(CC(=NO2)C(=O)NCC(COC3=C(C=C(C=C3Br)C(CNC(=O)C4=NOC5(C4)C=C(C(=C([C@@H]5O)Br)OC)Br)O)Br)O)C=C1Br)O)Br