Research chemical
CAS Number: 118023-83-9
![alpha-Neunac-[2->6]-beta-gal-[1->4]-beta-glcnac-[1->3][beta-gal-(1->4)-beta-glcnac(1->6)]-beta-gal-[1->4]-glc molecular structure, CAS 118023-83-9](/structure-images/118023-83-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
92023733
Exact Mass
1363.47602
InChIKey
UIJXXXCOANRQRQ-UHFFFAOYSA-N
IUPAC Name
5-acetamido-2-[[6-[5-acetamido-6-[2-[[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
SMILES String
CC(=O)NC1C(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(OC3OC(CO)C(OC4OC(COC5(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O5)C(O)C(O)C4O)C(O)C3NC(C)=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
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.
alpha-Neunac-[2->6]-beta-gal-[1->4]-beta-glcnac-[1->3][beta-gal-(1->4)-beta-glcnac(1->6)]-beta-gal-[1->4]-glc is identified by CAS 118023-83-9, with molecular formula C51H85N3O39, molecular weight 1364.2, InChIKey UIJXXXCOANRQRQ-UHFFFAOYSA-N.
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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
93
H-bond acceptors
42
H-bond donors
25
Rotatable bonds
25
Ring count
7
Aromatic rings
0
Topological polar surface area
669.42 Ų
Computed LogP
-16.64
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
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-Neunac-[2->6]-beta-gal-[1->4]-beta-glcnac-[1->3][beta-gal-(1->4)-beta-glcnac(1->6)]-beta-gal-[1->4]-glc (CAS 118023-83-9) is maintained as a commercial cas reference with formula C51H85N3O39, molecular weight 1364. 20 g/mol, PubChem CID 92023733.
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 nitrogen-containing heterocycle.
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.