Research chemical
CAS Number: 12769-08-3
![Cuprate(3-), [5-(acetylamino)-4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-2,7-naphthalenedisulfonato(5-)]-, sodium (1:3) molecular structure, CAS 12769-08-3](/structure-images/12769-08-3.png?v=struct-v3)
Product details
PubChem CID
166742
Exact Mass
795.829681
InChIKey
VAVKOHVLNBBLQE-UHFFFAOYSA-I
IUPAC Name
copper;trisodium;5-acetamido-4-oxido-3-[[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
SMILES String
CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2]
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.
Cuprate(3-), [5-(acetylamino)-4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-2,7-naphthalenedisulfonato(5-)]-, sodium (1:3) is identified by CAS 12769-08-3, with molecular formula C20H14CuN3Na3O15S4, molecular weight 797.1, InChIKey VAVKOHVLNBBLQE-UHFFFAOYSA-I.
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
46
H-bond acceptors
18
H-bond donors
1
Rotatable bonds
10
Ring count
3
Aromatic rings
3
Topological polar surface area
314.91 Ų
Computed LogP
-9.57
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal catalyst or complex
Precious metal motif
No
Transition metal motif
Yes
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
10 g/mol, PubChem CID 166742.
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, transition-metal-containing structure.
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.