Research chemical
CAS Number: 623552-11-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
71771705
Exact Mass
791.753039
InChIKey
BLEATLQPAFARDV-MWDZDQFZSA-H
IUPAC Name
hexasodium;[oxido-[(1R,2S,3S,4R,5S,6R)-2,3,4-trihydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxy-6-[oxido(phosphonatooxy)phosphoryl]oxycyclohexyl]oxyphosphoryl] phosphate
SMILES String
O=P([O-])([O-])OP(=O)([O-])O[C@@H]1[C@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)OP(=O)(O)O.[Na+].[Na+].[Na+].[Na+].[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.
Sodium (1R,2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((hydroxy(phosphonooxy)phosphoryl)oxy)cyclohexane-1,2-diyl didiphosphate is identified by CAS 623552-11-4, with molecular formula C6H12Na6O24P6, molecular weight 791.93, InChIKey BLEATLQPAFARDV-MWDZDQFZSA-H.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
42
H-bond acceptors
24
H-bond donors
6
Rotatable bonds
12
Ring count
1
Aromatic rings
0
Topological polar surface area
417.54 Ų
Computed LogP
-24.9
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
Sodium (1R,2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((hydroxy(phosphonooxy)phosphoryl)oxy)cyclohexane-1,2-diyl didiphosphate (CAS 623552-11-4) is maintained as a commercial cas reference with formula C6H12Na6O24P6, molecular weight 791.
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.