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S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R,6R)-5-[(2S,4S,5S)-5-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(2S,5Z,9R,13Z)-9-hydroxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate(CAS: 108212-75-5)

S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R,6R)-5-[(2S,4S,5S)-5-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(2S,5Z,9R,13Z)-9-hydroxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate
CAS Number

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Basic Information

Molecular Formula
C55H74IN3O21S4
Molecular Weight
1368.35 g/mol

Chemical Identifiers

SMILES
CCNC1COC(CC1OC)OC2C(C(C(OC2OC3C#CC=CC#CC4(CC(=O)C(=C3C4=CCSSSC)NC(=O)OC)O)C)NOC5CC(C(C(O5)C)SC(=O)C6=C(C(=C(C(=C6OC)OC)OC7C(C(C(C(O7)C)O)OC)O)I)C)O)O
InChIKey
HXCHCVDVKSCDHU-PJKCJEBCSA-N

Database References

MDL Number
MFCD30478834

FAQ

The compound must comply with GHS (Global Harmonized System of Classification and Labelling of Chemicals) for classification and labelling, as well as REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) regulations for the European market. In the United States, it should also adhere to FDA (Food and Drug Administration) and EPA (Environmental Protection Agency) requirements for chemical safety and environmental protection. Further specific guidelines and documentation will be required based on the intended use and local regulations.
There are no direct alternatives due to the complexity and specific structure of the compound. However, similar reagents such as ethyl 3,4,5-trimethoxy-6-iodobenzenecarbothioate or its analogs can be used as substitutes in certain synthetic routes. These alternatives should be evaluated based on their reactivity and compatibility with the desired synthesis.
The compound is primarily used in specialized research and development, particularly in pharmaceutical and chemical research. Market trends indicate growing interest in advanced organic compounds for medicinal chemistry and materials science. The price and demand for such specialized compounds are likely to be influenced by emerging research in these fields.
Waste containing this compound should be collected and managed in accordance with hazardous waste regulations. Proper environmental protection precautions must be taken to prevent contamination. The waste should be incinerated or disposed of through professional hazardous waste disposal services. Specific handling procedures should be followed to ensure safety and compliance with local environmental laws.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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