Research chemical
CAS Number: 639089-97-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16720461
Exact Mass
462.079826
InChIKey
LPXGCZRQLILWOH-UKZWKHHHSA-N
IUPAC Name
6,7-dihydroxy-14-methoxy-13-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
SMILES String
COc1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34
No physical property values available.
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-O-Methylellagic acid 4-O-rhamnoside is identified by CAS 639089-97-7, with molecular formula C21H18O12, molecular weight 462.4, InChIKey LPXGCZRQLILWOH-UKZWKHHHSA-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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
33
H-bond acceptors
12
H-bond donors
5
Rotatable bonds
3
Ring count
5
Aromatic rings
4
Topological polar surface area
189.26 Ų
Computed LogP
0.12
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
3-O-Methylellagic acid 4-O-rhamnoside (CAS 639089-97-7) is maintained as a commercial cas reference with formula C21H18O12, molecular weight 462. 40 g/mol, PubChem CID 16720461.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows.
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.