Research chemical
CAS Number: 1921-48-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
131637456
Exact Mass
725.065818
InChIKey
XLEVNBOZUZYSIR-CQQDLCLESA-L
IUPAC Name
disodium;[[(3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
SMILES String
NC(=S)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OCC3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[Na+].[Na+]
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
beta-Thionicotinamide adenine dinucleotide, reduced form disodium salt is identified by CAS 1921-48-8, with molecular formula C21H27N7Na2O13P2S, molecular weight 725.5, InChIKey XLEVNBOZUZYSIR-CQQDLCLESA-L.
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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
46
H-bond acceptors
20
H-bond donors
8
Rotatable bonds
11
Ring count
5
Aromatic rings
2
Topological polar surface area
306.21 Ų
Computed LogP
-9.14
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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
beta-Thionicotinamide adenine dinucleotide, reduced form disodium salt (CAS 1921-48-8) is maintained as a commercial cas reference with formula C21H27N7Na2O13P2S, molecular weight 725. 50 g/mol, PubChem CID 131637456.
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, phosphine-ligand motif.
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.