Research chemical
CAS Number: 115746-69-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
14034234
Exact Mass
462.116212
InChIKey
REBRERQNUHGTMS-PCGJYRBUSA-N
IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate
SMILES String
O=C(/C=C/c1ccccc1)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
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.
beta-D-Glucopyranose, 6-((2E)-3-phenyl-2-propenoate) 1-(3,4,5-trihydroxybenzoate) is identified by CAS 115746-69-5, with molecular formula C22H22O11, molecular weight 462.4, InChIKey REBRERQNUHGTMS-PCGJYRBUSA-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
33
H-bond acceptors
11
H-bond donors
6
Rotatable bonds
6
Ring count
3
Aromatic rings
2
Topological polar surface area
183.21 Ų
Computed LogP
0.02
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
beta-D-Glucopyranose, 6-((2E)-3-phenyl-2-propenoate) 1-(3,4,5-trihydroxybenzoate) (CAS 115746-69-5) is maintained as a cataloged research chemical with formula C22H22O11, molecular weight 462. 40 g/mol, PubChem CID 14034234.
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.
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.