Research chemical
CAS Number: 1046791-63-2
![5-Acetamido-2-[2-[6-[(2R,3R,4S)-3,4-dihydroxy-2-(octadecanoylamino)octadecoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid molecular structure, CAS 1046791-63-2](/structure-images/1046791-63-2.png?v=struct-v3)
Product details
PubChem CID
133554231
Exact Mass
1198.755023
InChIKey
OJXVTIVZXAXJKM-WTHPZHSFSA-N
SMILES String
CCCCCCCCCCCCCCCCCC(=O)N[C@H](COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C([C@@H](O)[C@@H](O)CO)O3)C2O)C(O)C1O)[C@@H](O)[C@@H](O)CCCCCCCCCCCCCC
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
5-Acetamido-2-[2-[6-[(2R,3R,4S)-3,4-dihydroxy-2-(octadecanoylamino)octadecoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is identified by CAS 1046791-63-2, with molecular formula C59H110N2O22, molecular weight 1199.5, InChIKey OJXVTIVZXAXJKM-WTHPZHSFSA-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.
For laboratory research and professional procurement workflows.
Heavy atom count
83
H-bond acceptors
24
H-bond donors
15
Rotatable bonds
46
Ring count
3
Aromatic rings
0
Topological polar surface area
393.64 Ų
Computed LogP
2.36
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
50 g/mol, PubChem CID 133554231.
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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.