Research chemical
CAS Number: 1456598-64-3
![[(1R,2S,3R,5R,6R,8S)-3-[(2S,3R,4S,5S,6R)-3-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate molecular structure, CAS 1456598-64-3](/structure-images/1456598-64-3.png?v=struct-v3)
Product details
PubChem CID
131848320
Exact Mass
584.189376
InChIKey
LYPYOTHXDUDQAL-HRCYFWENSA-N
SMILES String
C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@@]12O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)c1ccccc1
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.
[(1R,2S,3R,5R,6R,8S)-3-[(2S,3R,4S,5S,6R)-3-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate is identified by CAS 1456598-64-3, with molecular formula C30H32O12, molecular weight 584.6, InChIKey LYPYOTHXDUDQAL-HRCYFWENSA-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.
For laboratory research and professional procurement workflows.
Heavy atom count
42
H-bond acceptors
12
H-bond donors
4
Rotatable bonds
8
Ring count
9
Aromatic rings
2
Topological polar surface area
170.44 Ų
Computed LogP
0.51
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
[(1R,2S,3R,5R,6R,8S)-3-[(2S,3R,4S,5S,6R)-3-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4. 3. 1. 02,5.
Sourcing context
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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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