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What are the key identifiers for 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 113440-58-7)?
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 is identified by CAS 113440-58-7, with molecular formula C55H74IN3O21S4, molecular weight 1368.4, InChIKey HXCHCVDVKSCDHU-GPCZLZLMSA-N.
Can I request a COA for CAS 113440-58-7?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
84
H-bond acceptors
24
H-bond donors
8
Rotatable bonds
22
Ring count
7
Aromatic rings
1
Topological polar surface area
308.44 Ų
Computed LogP
3.2
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
Can I request supplier SDS for 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?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
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