Research chemical
CAS Number: 113440-58-7
Ordering
Quote required
Pricing and stock are confirmed on request.
Send the quantity and destination for a current sourcing check.
Product details
For laboratory research and professional procurement workflows.
PubChem CID
101617325
Exact Mass
1367.27424
InChIKey
HXCHCVDVKSCDHU-GPCZLZLMSA-N
IUPAC Name
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
SMILES String
CCN[C@H]1CO[C@@H](O[C@H]2[C@H](O[C@H]3C#C/C=C\C#C[C@]4(O)CC(=O)C(NC(=O)OC)=C3/C4=C/CSSSC)O[C@H](C)[C@@H](NO[C@H]3C[C@H](O)[C@H](SC(=O)c4c(C)c(I)c(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]5O)c(OC)c4OC)[C@@H](C)O3)[C@@H]2O)C[C@@H]1OC
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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
Structural features
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.
Sourcing context
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.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
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.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
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.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.