Research chemical
CAS Number: 209523-03-5
![[(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS,8aR)-4-ethenyl-8-oxo-3,4,4a,5,6,8a-hexahydro-1H-pyrano[3,4-c]pyran-3-yl]oxy]-4-acetyloxy-6-(acetyloxymethyl)-5-[3-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyoxan-3-yl] 2,3-dihydroxybenzoate molecular structure, CAS 209523-03-5](/structure-images/209523-03-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
10677115
Exact Mass
878.248073
InChIKey
XFNVHPDBJWTMHS-ZMHNNAQHSA-N
SMILES String
C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(=O)c3cccc(O)c3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC(C)=O)[C@H]2OC(=O)c2cccc(O)c2O)OC[C@@H]2C(=O)OCC[C@@H]12
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.
[(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS,8aR)-4-ethenyl-8-oxo-3,4,4a,5,6,8a-hexahydro-1H-pyrano[3,4-c]pyran-3-yl]oxy]-4-acetyloxy-6-(acetyloxymethyl)-5-[3-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyoxan-3-yl] 2,3-dihydroxybenzoate is identified by CAS 209523-03-5, with molecular formula C40H46O22, molecular weight 878.8, InChIKey XFNVHPDBJWTMHS-ZMHNNAQHSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
62
H-bond acceptors
22
H-bond donors
7
Rotatable bonds
13
Ring count
6
Aromatic rings
2
Topological polar surface area
319.26 Ų
Computed LogP
-0.69
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
80 g/mol, PubChem CID 10677115.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.