Research chemical
CAS Number: 133647-94-6
Product details
PubChem CID
71308741
Exact Mass
1650.14593
InChIKey
QVAKGEVIXLNPPV-CQWLXSKTSA-J
IUPAC Name
tetrasodium;[(2R,3S,4R,5R,6S)-4-[[(1R,3R,4R,5S,8S)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-[[(1R,3R,4R,5R,8S)-3-[(2S,3R,4R,5S,6R)-2-[[(1R,3R,4R,5R,8S)-3-[(2S,3R,4R,5S,6R)-2-[[(1R,3R,4R,5R,8S)-3-[(3R,4R,5S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-3-hydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-3-hydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] sulfate
SMILES String
O=S(=O)([O-])O[C@@H]1[C@H](O[C@H]2O[C@@H]3CO[C@@H]([C@H]3O)[C@H]2O)[C@@H](O)[C@H](O[C@@H]2[C@@H]3OC[C@H]2O[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]4[C@@H]5OC[C@H]4O[C@H](O[C@@H]4[C@@H](O)[C@H](O[C@@H]6[C@@H]7OC[C@H]6O[C@H](O[C@H]6[C@@H](OS(=O)(=O)[O-])[C@@H](CO)OC(O)[C@@H]6O)[C@@H]7O)O[C@H](CO)[C@@H]4OS(=O)(=O)[O-])[C@@H]5O)O[C@H](CO)[C@@H]2OS(=O)(=O)[O-])[C@@H]3O)O[C@@H]1CO.[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.
Neocarraoctaose 41,43,45,47-tetrasulfate tetrasodium salt is identified by CAS 133647-94-6, with molecular formula C48H70Na4O49S4, molecular weight 1651.3, InChIKey QVAKGEVIXLNPPV-CQWLXSKTSA-J.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
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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
105
H-bond acceptors
49
H-bond donors
14
Rotatable bonds
26
Ring count
12
Aromatic rings
0
Topological polar surface area
724.31 Ų
Computed LogP
-28.32
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
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
Neocarraoctaose 41,43,45,47-tetrasulfate tetrasodium salt (CAS 133647-94-6) is maintained as a commercial cas reference with formula C48H70Na4O49S4, molecular weight 1651. 30 g/mol, PubChem CID 71308741.
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.
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.