Research chemical
CAS Number: 1885097-49-3
![[(2S,3R,4S,5R,6R)-2-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate molecular structure, CAS 1885097-49-3](/structure-images/1885097-49-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
177927894
Exact Mass
572.152991
InChIKey
CEPQQERKIVVLGP-SLHSBHIQSA-N
SMILES String
O=C(O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c(C(=O)CCc3ccccc3)c(O)c2)O[C@H](CO)[C@H]1O)c1cc(O)c(O)c(O)c1
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.
[(2S,3R,4S,5R,6R)-2-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate is identified by CAS 1885097-49-3, with molecular formula C28H28O13, molecular weight 572.5, InChIKey CEPQQERKIVVLGP-SLHSBHIQSA-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.
Heavy atom count
41
H-bond acceptors
13
H-bond donors
8
Rotatable bonds
9
Ring count
4
Aromatic rings
3
Topological polar surface area
223.67 Ų
Computed LogP
1.07
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
[(2S,3R,4S,5R,6R)-2-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate (CAS 1885097-49-3) is maintained as a commercial cas reference with formula C28H28O13, molecular weight 572.
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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