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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3083353Generated: November 3, 2026

2-(4-trifluoroacetamidophenyl)ethyl O-heptopyranosyl-1-7-O-heptopyranosyl-1-3-heptopyranoside

2-(4-trifluoroacetamidophenyl)ethyl O-heptopyranosyl-1-7-O-heptopyranosyl-1-3-heptopyranoside · Acetamide, 2,2,2-trifluoro-N-[4-[2-[(O-L-glycero-α-D-manno-heptopyranosyl-(1→7)-O-L-glycero-α-D-manno-heptopyranosyl-(1→3)-L-glycero-α-D-manno-heptopyranosyl)oxy]ethyl]phenyl]- (9CI)

https://huagongshe.com/en/chemical/3083353

2-(4-trifluoroacetamidophenyl)ethyl O-heptopyranosyl-1-7-O-heptopyranosyl-1-3-heptopyranoside molecular structure

Identifiers & Physical Properties

CAS No.142270-34-6
Molecular formulaC31H46F3NO20
Average molar mass809.7 g/mol
Monoisotopic mass809.25652734 g/mol
SMILESO=C(Nc1ccc(CCO[C@@H]2OC([C@H](O)CO)[C@@H](O)[C@H](O[C@@H]3OC([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O[C@@H]2OC([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)C(F)(F)F
InChIKeyTXYCCNGCDORROL-LOIWZGSKSA-N
PubChem CID3083353
DTXSIDDTXSID90931399

Chemical & Physical Properties

XLogP-4.8
Topological polar surface area347
Hydrogen bond donors14
Hydrogen bond acceptors23
Rotatable bonds15
Heavy atoms55
Formal charge0
Complexity1,190
Boiling point1100.3±65.0 °C(Predicted)
Density1.72±0.1 g/cm3(Predicted)
pKa (acidity coefficient)9.95±0.70(Predicted)