Research chemical
CAS Number: 1359052-95-1
![2-[4-(beta-D-Glucopyranosyloxy)phenyl]-2,3-dihydro-2,5,7-trihydroxy-4H-1-benzopyran-4-one molecular structure, CAS 1359052-95-1](/structure-images/1359052-95-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
176419475
Exact Mass
450.116212
InChIKey
RHIYHQFVVUZIRT-JIZMHTQASA-N
IUPAC Name
2,5,7-trihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3H-chromen-4-one
SMILES String
O=C1CC(O)(c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)cc(O)c21
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
2-[4-(beta-D-Glucopyranosyloxy)phenyl]-2,3-dihydro-2,5,7-trihydroxy-4H-1-benzopyran-4-one is identified by CAS 1359052-95-1, with molecular formula C21H22O11, molecular weight 450.4, InChIKey RHIYHQFVVUZIRT-JIZMHTQASA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
32
H-bond acceptors
11
H-bond donors
7
Rotatable bonds
4
Ring count
4
Aromatic rings
2
Topological polar surface area
186.37 Ų
Computed LogP
-0.91
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-[4-(beta-D-Glucopyranosyloxy)phenyl]-2,3-dihydro-2,5,7-trihydroxy-4H-1-benzopyran-4-one (CAS 1359052-95-1) is maintained as a commercial cas reference with formula C21H22O11, molecular weight 450. 40 g/mol, PubChem CID 176419475.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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.