Research chemical
CAS Number: 199684-60-1
Product details
PubChem CID
71312276
Exact Mass
1584.006591
InChIKey
UVXCHNWIGVNOSW-WWKXUIADSA-H
IUPAC Name
hexasodium;[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecahydroxy-10,15,20,25,30-pentakis[[hydroxy(oxido)phosphoryl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methyl hydrogen phosphate
SMILES String
O=P([O-])(O)OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7COP(=O)([O-])O)O[C@@H]6COP(=O)([O-])O)O[C@@H]5COP(=O)([O-])O)O[C@@H]4COP(=O)([O-])O)O[C@@H]3COP(=O)([O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
alpha-Cyclodextrin phosphate sodium salt is identified by CAS 199684-60-1, with molecular formula C36H60Na6O48P6, molecular weight 1584.6, InChIKey UVXCHNWIGVNOSW-WWKXUIADSA-H.
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.
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
96
H-bond acceptors
48
H-bond donors
18
Rotatable bonds
18
Ring count
22
Aromatic rings
0
Topological polar surface area
771.06 Ų
Computed LogP
-34.12
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
No
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
alpha-Cyclodextrin phosphate sodium salt (CAS 199684-60-1) is maintained as a commercial cas reference with formula C36H60Na6O48P6, molecular weight 1584. 60 g/mol, PubChem CID 71312276.
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 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.