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Computed Structure Descriptors
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What are the key identifiers for Methyl 14-(hydroxymethyl)-13-oxido-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate (CAS 1092371-18-0)?
Methyl 14-(hydroxymethyl)-13-oxido-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate is identified by CAS 1092371-18-0, with molecular formula C27H34N2O11, molecular weight 562.6, InChIKey NVUHVENKCFNJQW-UHFFFAOYSA-N.
Can I request a COA for CAS 1092371-18-0?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Methyl 14-(hydroxymethyl)-13-oxido-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1092371-18-0 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Show calculated structure fields
Heavy atom count
40
H-bond acceptors
13
H-bond donors
6
Rotatable bonds
5
Ring count
6
Aromatic rings
2
Topological polar surface area
193.99 Ų
Computed LogP
-0.69
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.
![Methyl 14-(hydroxymethyl)-13-oxido-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate molecular structure, CAS 1092371-18-0](/structure-images/1092371-18-0.png?v=struct-v2)