Research chemical
CAS Number: 133628-76-9
Product details
PubChem CID
101196402
Exact Mass
1242.112089
InChIKey
HDUOMKXATNGAIE-MBEPBFIYSA-K
IUPAC Name
trisodium;[(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-[(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]-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](OS(=O)(=O)[O-])[C@@H](CO)OC(O)[C@@H]4O)[C@@H]5O)O[C@H](CO)[C@@H]2OS(=O)(=O)[O-])[C@@H]3O)O[C@@H]1CO.[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.
Neocarrabiose-4 1,3,5-tri-O-sulphate(na+) is identified by CAS 133628-76-9, with molecular formula C36H53Na3O37S3, molecular weight 1243, InChIKey HDUOMKXATNGAIE-MBEPBFIYSA-K.
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.
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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
79
H-bond acceptors
37
H-bond donors
11
Rotatable bonds
19
Ring count
9
Aromatic rings
0
Topological polar surface area
551.04 Ų
Computed LogP
-21.5
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
Neocarrabiose-4 1,3,5-tri-O-sulphate(na+) (CAS 133628-76-9) is maintained as a commercial cas reference with formula C36H53Na3O37S3, molecular weight 1243. 00 g/mol, PubChem CID 101196402.
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.