Research chemical
CAS Number: 639857-95-7
![2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[4-[4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol molecular structure, CAS 639857-95-7](/structure-images/639857-95-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
168006112
Exact Mass
684.262935
InChIKey
ASBUJZATOUFOJD-UHFFFAOYSA-N
SMILES String
COc1cc(CC2COC(c3ccc(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
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.
2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[4-[4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol is identified by CAS 639857-95-7, with molecular formula C32H44O16, molecular weight 684.7, InChIKey ASBUJZATOUFOJD-UHFFFAOYSA-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
48
H-bond acceptors
16
H-bond donors
9
Rotatable bonds
12
Ring count
5
Aromatic rings
2
Topological polar surface area
246.68 Ų
Computed LogP
-2.05
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 168006112.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.