Research chemical
CAS Number: 11005-98-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
197125
Exact Mass
541.248288
InChIKey
XQRJFJIKNNEPNI-UHFFFAOYSA-N
IUPAC Name
6'-(1-amino-2-hydroxyethyl)-4-[2,6-dihydroxy-3,5-bis(methylamino)cyclohexyl]oxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol
SMILES String
CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)NC
No physical property values available.
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.
AB 74 is identified by CAS 11005-98-4, with molecular formula C21H39N3O13, molecular weight 541.5, InChIKey XQRJFJIKNNEPNI-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
37
H-bond acceptors
16
H-bond donors
12
Rotatable bonds
7
Ring count
4
Aromatic rings
0
Topological polar surface area
258.07 Ų
Computed LogP
-7.01
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
AB 74 (CAS 11005-98-4) is maintained as a cataloged research chemical with formula C21H39N3O13, molecular weight 541. 50 g/mol, PubChem CID 197125.
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.