17094-01-8 Purity
98%
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Specification
The molecular formula is C26H22O8.
The synonyms are 22224-41-5, 1,3,5-Tri-O-benzoyl-alpha-d-ribofuranose, and [(2R,3S,4R,5R)-3,5-dibenzoyloxy-4-hydroxyoxolan-2-yl]methyl benzoate.
The molecular weight is 462.4 g/mol.
The IUPAC name is [(2R,3S,4R,5R)-3,5-dibenzoyloxy-4-hydroxyoxolan-2-yl]methyl benzoate.
The InChI is InChI=1S/C26H22O8/c27-21-22(33-24(29)18-12-6-2-7-13-18)20(16-31-23(28)17-10-4-1-5-11-17)32-26(21)34-25(30)19-14-8-3-9-15-19/h1-15,20-22,26-27H,16H2/t20-,21-,22-,26-/m1/s1.
The InChIKey is HUHVPBKTTFVAQF-PIXQIBFHSA-N.
The canonical SMILES is C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)OC(=O)C3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4.
It has 1 hydrogen bond donor count.
It has 8 hydrogen bond acceptor count.
The topological polar surface area is 108Ų.