Aspirochlorin

Base Information

• Chemical Name: Aspirochlorin
• CAS No.: 59978-04-0
• Molecular Formula: C12H9 Cl N2 O5 S2
• Molecular Weight: 360.79
• Nikkaji Number: J157.894D
• Wikidata: Q105330734

Synonyms:aspirochlorin;AKOS040747647;(1S,9S,12S)-6-chloro-5-hydroxy-15-methoxy-2-oxa-10,11-dithia-13,15-diazatetracyclo[10.2.2.01,9.03,8]hexadeca-3,5,7-triene-14,16-dione

Chemical Property of Aspirochlorin

Chemical Property:

• Density: 1.89g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 359.9641414
• Heavy Atom Count: 22
• Complexity: 540

Purity/Quality:

99% ^*data from raw suppliers

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Useful:

• Canonical SMILES: CON1C(=O)C2NC(=O)C13C(C4=CC(=C(C=C4O3)O)Cl)SS2
• Isomeric SMILES: CON1C(=O)[C@H]2NC(=O)[C@]13[C@H](C4=CC(=C(C=C4O3)O)Cl)SS2
• Use Description: 9-Chloro-8-hydroxy-11-methoxy-11H-3,11a-(iminomethano)(1,2,4)dithiazino(4,3-b)(1,2)benzoxazine-4,12(3H)-dione, while a complex chemical compound, has limited known applications due to its intricate structure. However, it may find use in specialized chemical research and synthesis. In the field of organic chemistry, it could serve as a valuable starting material for the exploration of novel chemical reactions and the development of new synthetic methodologies. Researchers may utilize 9-Chloro-8-hydroxy-11-methoxy-11H-3,11a-(iminomethano)(1,2,4)dithiazino(4,3-b)(1,2) benzoxazine- 4,12(3H)-dione as a building block to create unique molecules, potentially leading to the discovery of compounds with unexplored properties or applications. Its significance primarily lies in its potential as a tool for advancing the understanding of chemical processes and expanding the realm of organic synthesis, although specific practical applications outside of research remain to be determined.

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