Research chemical
CAS Number: 1391144-81-2
![3-hydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3-methyl-5-oxopentanoic acid molecular structure, CAS 1391144-81-2](/structure-images/1391144-81-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
168432645
Exact Mass
752.216379
InChIKey
WWLLPHKIYLKMTO-MCXPHAEJSA-N
SMILES String
COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(C)(O)CC(=O)O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1
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.
3-hydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3-methyl-5-oxopentanoic acid is identified by CAS 1391144-81-2, with molecular formula C34H40O19, molecular weight 752.7, InChIKey WWLLPHKIYLKMTO-MCXPHAEJSA-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.
Heavy atom count
53
H-bond acceptors
19
H-bond donors
9
Rotatable bonds
12
Ring count
5
Aromatic rings
3
Topological polar surface area
301.8 Ų
Computed LogP
-0.92
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
70 g/mol, PubChem CID 168432645.
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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.