Research chemical
CAS Number: 692776-59-3
Product details
PubChem CID
172642794
Exact Mass
1583.570708
InChIKey
NNZGVWMKGXZVTK-UHFFFAOYSA-N
IUPAC Name
N-[2-[2-[5-acetamido-6-[[4-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-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-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
SMILES String
CC(=O)NC1C(OC2C(O)C(COC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5NC(C)=O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3NC(C)=O)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(OC2OC(CO)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.
Monofucosyl (1-3)-iso-lacto-N-octaose is identified by CAS 692776-59-3, with molecular formula C60H101N3O45, molecular weight 1584.4, InChIKey NNZGVWMKGXZVTK-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
108
H-bond acceptors
48
H-bond donors
28
Rotatable bonds
27
Ring count
9
Aromatic rings
0
Topological polar surface area
749.96 Ų
Computed LogP
-19.17
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
Monofucosyl (1-3)-iso-lacto-N-octaose (CAS 692776-59-3) is maintained as a commercial cas reference with formula C60H101N3O45, molecular weight 1584. 40 g/mol, PubChem CID 172642794.
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.