N-Deacyl-A40926

Base Information

• Chemical Name: N-Deacyl-A40926
• CAS No.: 118693-63-3
• Molecular Formula: C₇₁H₆₆Cl₂N₈O₂₈
• Molecular Weight: 1550.25

Synonyms:N-Deacyl-A40926;DA 40;DA 40926;118693-63-3;Ristomycin A aglycone, 56-O-(2-amino-2-deoxy-beta-D-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosyl-N15-methyl-;[(2S,3R,4R,5S,6S)-3-amino-6-carboxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-dichloro-pentahydroxy-(methylamino)-hexaoxo-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-[?]carboxylic acid;Ristomycin A aglycone, 56-O-(2-amino-2-deoxy-.beta.-D-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-.alpha.-D-mannopyranosyl-N15-methyl-

Chemical Property of N-Deacyl-A40926

Chemical Property:

• XLogP3: -3.7
• Hydrogen Bond Donor Count: 21
• Hydrogen Bond Acceptor Count: 30
• Rotatable Bond Count: 8
• Exact Mass: 1548.3363589
• Heavy Atom Count: 109
• Complexity: 3270

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1C2=CC(=C(C=C2)O)OC3=CC(=C(C(=C3)O)Cl)C4C(=O)NC5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)C(C8C(=O)NC(C9=C(C(=CC(=C9)O)OC2C(C(C(C(O2)CO)O)O)O)C2=C(C=CC(=C2)C(C(=O)N8)NC5=O)O)C(=O)O)O)Cl)OC2C(C(C(C(O2)C(=O)O)O)O)N)OC2=CC=C(CC(C(=O)N4)NC1=O)C=C2
• Isomeric SMILES: CN[C@@H]1C2=CC(=C(C=C2)O)OC3=CC(=C(C(=C3)O)Cl)[C@H]4C(=O)N[C@@H]5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)[C@H]([C@H]8C(=O)N[C@@H](C9=C(C(=CC(=C9)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C2=C(C=CC(=C2)[C@H](C(=O)N8)NC5=O)O)C(=O)O)O)Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)N)OC2=CC=C(C[C@H](C(=O)N4)NC1=O)C=C2

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