Research chemical
CAS Number: 1821301-76-1
![benzyl 6-{[(2R,3R,4R,5R,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxepan-2-yl]oxy}hexanoate molecular structure, CAS 1821301-76-1](/structure-images/1821301-76-1.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
177927308
Exact Mass
565.252311
InChIKey
PVAZTQMPJKVHOA-AFHCZAQNSA-N
IUPAC Name
benzyl 6-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxepan-2-yl]oxyhexanoate
SMILES String
CC(=O)N[C@H]1[C@H](OCCCCCC(=O)OCc2ccccc2)OC[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
benzyl 6-{[(2R,3R,4R,5R,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxepan-2-yl]oxy}hexanoate is identified by CAS 1821301-76-1, with molecular formula C28H39NO11, molecular weight 565.6, InChIKey PVAZTQMPJKVHOA-AFHCZAQNSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
40
H-bond acceptors
12
H-bond donors
1
Rotatable bonds
14
Ring count
2
Aromatic rings
1
Topological polar surface area
152.76 Ų
Computed LogP
2.21
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
benzyl 6-{[(2R,3R,4R,5R,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxepan-2-yl]oxy}hexanoate (CAS 1821301-76-1) is maintained as a commercial cas reference with formula C28H39NO11, molecular weight 565. 60 g/mol, PubChem CID 177927308.
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.