935-15-9 Purity
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Specification
The molecular formula of Antibiotic L-681,217 is C36H53NO10.
The synonyms of Antibiotic L-681,217 are 93522-10-2, L 681217, and L-681,217.
Antibiotic L-681,217 was created on April 28, 2006.
The last modification to Antibiotic L-681,217 was made on December 30, 2023.
The molecular weight of Antibiotic L-681,217 is 659.8 g/mol.
The IUPAC name of Antibiotic L-681,217 is "(2E,4E,6E)-7-[3-hydroxy-5-[(4E,6E)-3-methoxy-4-methyl-8-[2-[2,4,5-trihydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanoylamino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid."
The InChI of Antibiotic L-681,217 is "InChI=1S/C36H53NO10/c1-7-9-12-19-31-35(5,43)30(39)23-36(44,47-31)26(8-2)34(42)37-21-16-15-17-24(3)33(45-6)25(4)29-22-27(38)28(46-29)18-13-10-11-14-20-32(40)41/h7,9-20,25-31,33,38-39,43-44H,8,21-23H2,1-6H3,(H,37,42)(H,40,41)/b9-7+,11-10+,16-15+,18-13+,19-12+,20-14+,24-17+."
The Canonical SMILES of Antibiotic L-681,217 is "CCC(C(=O)NCC=CC=C(C)C(C(C)C1CC(C(O1)C=CC=CC=CC(=O)O)O)OC)C2(CC(C(C(O2)C=CC=CC)(C)O)O)O."
The XLogP3-AA value of Antibiotic L-681,217 is 3.6.
The hydrogen bond donor count of Antibiotic L-681,217 is 6.