Research chemical
CAS Number: 1163725-44-7
![2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one molecular structure, CAS 1163725-44-7](/structure-images/1163725-44-7.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
54047725
Exact Mass
464.095476
InChIKey
LQSNPVIQIPKOGP-WGLXEVCESA-N
SMILES String
O=c1cc(-c2ccc(O)c(O)c2)oc2c(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12
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.
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one is identified by CAS 1163725-44-7, with molecular formula C21H20O12, molecular weight 464.4, InChIKey LQSNPVIQIPKOGP-WGLXEVCESA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
33
H-bond acceptors
12
H-bond donors
8
Rotatable bonds
4
Ring count
4
Aromatic rings
3
Topological polar surface area
210.51 Ų
Computed LogP
-0.54
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
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one (CAS 1163725-44-7) is maintained as a cataloged research chemical with formula C21H20O12, molecular weight 464. 40 g/mol, PubChem CID 54047725.
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.