Research chemical
CAS Number: 204074-56-6
Product details
PubChem CID
126456244
Exact Mass
558.09956
InChIKey
NMZMXTSMKCPCKM-DBTYYSAASA-N
IUPAC Name
(2S)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]hexanoic acid;chloride;trihydrochloride
SMILES String
Cl.Cl.Cl.N[C@@H](CCCC[n+]1cc(O)c(C[C@H](N)C(=O)O)c(CC[C@H](N)C(=O)O)c1)C(=O)O.[Cl-]
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
4-((S)-2-amino-2-carboxyethyl)-3-((S)-3-amino-3-carboxypropyl)-1-((S)-5-amino-5-carboxypentyl)-5-hydroxypyridin-1-ium chloride trihydrochloride is identified by CAS 204074-56-6, with molecular formula C18H32Cl4N4O7, molecular weight 558.3, InChIKey NMZMXTSMKCPCKM-DBTYYSAASA-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.
For laboratory research and professional procurement workflows.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
33
H-bond acceptors
11
H-bond donors
10
Rotatable bonds
13
Ring count
1
Aromatic rings
1
Topological polar surface area
214.07 Ų
Computed LogP
-3.17
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.
Structural features
4-((S)-2-amino-2-carboxyethyl)-3-((S)-3-amino-3-carboxypropyl)-1-((S)-5-amino-5-carboxypentyl)-5-hydroxypyridin-1-ium chloride trihydrochloride (CAS 204074-56-6) is maintained as a commercial cas reference with formula C18H32Cl4N4O7, molecular weight 558.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.