Aponatamycin

Base Information

• Chemical Name: Aponatamycin
• CAS No.: 60395-06-4
• Molecular Formula: C60H87NO25
• Molecular Weight: 1222.32
• Mol file: 60395-06-4.mol

Synonyms:Aponatamycin;60395-06-4;(3Z,17Z,21Z)-16-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-24-[(6Z,9Z,11Z,24Z)-15-carboxy-14,16,20,22,23-pentahydroxy-2-methyl-18,26-dioxo-1-oxacyclohexacosa-4,6,9,11,24-pentaen-8-yl]-5,6,8,12,14,23-hexahydroxy-26-methyl-2,10-dioxo-1-oxacyclohexacosa-3,17,19,21-tetraene-13-carboxylic acid;Oxacyclohexacosa-3,16,18,21,23-pentaene-13-carboxylic acid,20-(12-((3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy)-15-carboxy-5,14,16,20,22,23-hexahydroxy-2-methyl-18,26-dioxooxacyclohexacosa-6,8,10,24-tetraen-4-yl)-5,6,8,12,14-pentahydroxy-26-methyl-2,10-dioxo-;C60H87NO25;C60-H87-N-O25

Chemical Property of Aponatamycin

Chemical Property:

• XLogP3: -1.9
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 5
• Exact Mass: 1221.55671726
• Heavy Atom Count: 86
• Complexity: 2440

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC=CC=CC(C=CC=CCC(C(C(CC(=O)CC(CC(C(C=CC(=O)O1)O)O)O)O)C(=O)O)O)C2CC(OC(=O)C=CC(C(CC(CC(=O)CC(C(C(CC(C=CC=CC=CC2O)OC3C(C(C(C(O3)C)O)N)O)O)C(=O)O)O)O)O)O)C
• Isomeric SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC/2CC(C(C(CC(=O)CC(CC(C(/C=C\C(=O)OC(CC(C(/C=C\C=C/C=C2)O)C\3/C=C\C=CCC(OC(=O)/C=C\C(C(CC(CC(=O)CC(C(C(C/C=C\C=C3)O)C(=O)O)O)O)O)O)C)C)O)O)O)O)C(=O)O)O)O)N)O