Research chemical
CAS Number: 133628-77-0
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Product details
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PubChem CID
71308780
Exact Mass
2466.213613
InChIKey
YWSHUIVBCLNTEM-GGOYDXLKSA-H
IUPAC Name
hexasodium;[(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-[(2S,3R,4R,5S,6R)-2-[[(1R,3R,4R,5R,8S)-3-[(2S,3R,4R,5S,6R)-2-[[(1R,3R,4R,5R,8S)-3-[(2R,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]-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]2O)[C@H]3O[C@@H]2O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@H](O[C@H]3O[C@@H]4CO[C@H]([C@H]3O)[C@H]4O[C@@H]3O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@H](O[C@H]4O[C@@H]5CO[C@H]([C@H]4O)[C@H]5O[C@@H]4O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@H](O[C@H]5O[C@@H]6CO[C@H]([C@H]5O)[C@H]6O[C@@H]5O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@H](O[C@H]6O[C@@H]7CO[C@H]([C@H]6O)[C@H]7O[C@@H]6O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@H](O[C@H]7O[C@@H]8CO[C@@H]([C@H]8O)[C@H]7O)[C@H]6O)[C@H]5O)[C@H]4O)[C@H]3O)[C@H]2O)[C@@H](O)[C@H](O)O[C@@H]1CO.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
157
H-bond acceptors
73
H-bond donors
20
Rotatable bonds
40
Ring count
18
Aromatic rings
0
Topological polar surface area
1070.85 Ų
Computed LogP
-41.95
Structural features
Neocarradodecaose 41,43,45,47,49,411-hexasulfate hexasodium salt (CAS 133628-77-0) is maintained as a commercial cas reference with formula C72H104Na6O73S6, molecular weight 2467. 90 g/mol, PubChem CID 71308780.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Neocarradodecaose 41,43,45,47,49,411-hexasulfate hexasodium salt is identified by CAS 133628-77-0, with molecular formula C72H104Na6O73S6, molecular weight 2467.9, InChIKey YWSHUIVBCLNTEM-GGOYDXLKSA-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.
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.
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.