Research chemical
CAS Number: 116981-90-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
154727118
Exact Mass
716.177549
InChIKey
CSEGIKFULSNPJZ-KHEBRHQFSA-N
IUPAC Name
7-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(trifluoromethyl)chromen-2-one
SMILES String
O=c1cc(C(F)(F)F)c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2o1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
4-(Trifluoromethyl)umbelliferyl-b-D-cellotrioside is identified by CAS 116981-90-9, with molecular formula C28H35F3O18, molecular weight 716.6, InChIKey CSEGIKFULSNPJZ-KHEBRHQFSA-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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
49
H-bond acceptors
18
H-bond donors
10
Rotatable bonds
9
Ring count
5
Aromatic rings
2
Topological polar surface area
287.89 Ų
Computed LogP
-4.36
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
4-(Trifluoromethyl)umbelliferyl-b-D-cellotrioside (CAS 116981-90-9) is maintained as a cataloged research chemical with formula C28H35F3O18, molecular weight 716. 60 g/mol, PubChem CID 154727118.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation.
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.