Research chemical
CAS Number: 54077-86-0
Product details
PubChem CID
104686
Exact Mass
985.699498
InChIKey
XRXUZVMKPYEWDV-UHFFFAOYSA-J
IUPAC Name
tetrapotassium;(15,30-dichloro-5,20,27-trisulfonatooxy-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-12-yl) sulfate
SMILES String
C1=CC=C2C(=C1)C(=C3C=C(C4=C(C3=C2OS(=O)(=O)[O-])NC5=C(N4)C6=C(C7=CC=CC=C7C(=C6C=C5Cl)OS(=O)(=O)[O-])OS(=O)(=O)[O-])Cl)OS(=O)(=O)[O-].[K+].[K+].[K+].[K+]
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
5,9,14,18-Anthrazinetetrol, 7,16-dichloro-6,15-dihydro-, 5,9,14,18-tetrakis(hydrogen sulfate), potassium salt (1:4) is identified by CAS 54077-86-0, with molecular formula C28H12Cl2K4N2O16S4, molecular weight 988, InChIKey XRXUZVMKPYEWDV-UHFFFAOYSA-J.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
56
H-bond acceptors
18
H-bond donors
2
Rotatable bonds
8
Ring count
7
Aromatic rings
6
Topological polar surface area
289.78 Ų
Computed LogP
-7.22
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
5,9,14,18-Anthrazinetetrol, 7,16-dichloro-6,15-dihydro-, 5,9,14,18-tetrakis(hydrogen sulfate), potassium salt (1:4) (CAS 54077-86-0) is maintained as a commercial cas reference with formula C28H12Cl2K4N2O16S4, molecular weight 988.
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.