Research chemical
CAS Number: 111216-36-5
![alpha-NEUNAC-[2->6]-beta-GAL-[1->4]-beta-GLCNAC-[1->3]-beta-GAL-[1->4]-[alpha-FUC-(1->3)]-GLC molecular structure, CAS 111216-36-5](/structure-images/111216-36-5.png?v=struct-v3)
Product details
PubChem CID
92023898
Exact Mass
1144.401733
InChIKey
HSYHUIKGLHMONM-UHFFFAOYSA-N
IUPAC Name
5-acetamido-2-[[6-[5-acetamido-6-[2-[5,6-dihydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-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(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
alpha-NEUNAC-[2->6]-beta-GAL-[1->4]-beta-GLCNAC-[1->3]-beta-GAL-[1->4]-[alpha-FUC-(1->3)]-GLC is identified by CAS 111216-36-5, with molecular formula C43H72N2O33, molecular weight 1145, InChIKey HSYHUIKGLHMONM-UHFFFAOYSA-N.
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.
For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
78
H-bond acceptors
35
H-bond donors
21
Rotatable bonds
20
Ring count
6
Aromatic rings
0
Topological polar surface area
561.17 Ų
Computed LogP
-13.58
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]-[alpha-FUC-(1->3)]-GLC (CAS 111216-36-5) is maintained as a cataloged research chemical with formula C43H72N2O33, molecular weight 1145. 00 g/mol, PubChem CID 92023898.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; 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.