Research chemical
AB 74
CAS Number: 11005-98-4
Product details
Identity & specification
- Molecular formula
- C21H39N3O13
- Molecular weight
- 541.5 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
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
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
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.
Catalog Facts
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.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Catalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for AB 74 (CAS 11005-98-4)?
AB 74 is identified by CAS 11005-98-4, with molecular formula C21H39N3O13, molecular weight 541.5, InChIKey XQRJFJIKNNEPNI-UHFFFAOYSA-N.
Can I request a COA for CAS 11005-98-4?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for AB 74?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 11005-98-4 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.