Research chemical
CAS Number: 126589-95-5
![5-Hydroxy-4-(4-hydroxyphenyl)-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one molecular structure, CAS 126589-95-5](/structure-images/126589-95-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
495210
Exact Mass
460.136947
InChIKey
BFKUDGRBSUJNLA-UHFFFAOYSA-N
SMILES String
O=C1C=C(c2ccc(O)cc2)C(O)Cc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2O1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
5-Hydroxy-4-(4-hydroxyphenyl)-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one is identified by CAS 126589-95-5, with molecular formula C23H24O10, molecular weight 460.4, InChIKey BFKUDGRBSUJNLA-UHFFFAOYSA-N.
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Heavy atom count
33
H-bond acceptors
10
H-bond donors
6
Rotatable bonds
4
Ring count
4
Aromatic rings
2
Topological polar surface area
166.14 Ų
Computed LogP
-0.52
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
5-Hydroxy-4-(4-hydroxyphenyl)-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one (CAS 126589-95-5) is maintained as a commercial cas reference with formula C23H24O10, molecular weight 460. 40 g/mol, PubChem CID 495210.
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.
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