4-Azidophlorhizin

3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one

Also Known As: 4-Azidophlorizin|4-Azidophlorhizin|2'-O-(beta-D-Glucopyranosyl)-4-azidophloretin|3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one|1-propanone, 3-(4-azidophenyl)-1-(2-(|A-d-glucopyranosyloxy)-4,6-dihydroxyphenyl)-|1-Propanone, 3-(4-azidophenyl)-1-(2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-|2-[3-(4-Azidophenyl)propanoyl]-3,5-dihydroxyphenyl beta-d-glucopyranoside|3-(4-Azidophenyl)-1-[2-(|A-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-1-propanone|3-(4-Azidophenyl)-1-[2-(b-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-1-propanone|3-(4-Azidophenyl)-1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-1-propanone|3-(4-azidophenyl)-1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propan-1-one|3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]propan-1-one

Molecular Formula	C21H23N3O9
Molecular Weight	461.14343 g/mol
LogP	2.1
Topological Polar Surface Area	171.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	461.14343
Monoisotopic Mass	461.14343
Heavy Atoms	33
Complexity	698.0

Chemical Identifiers

CAS Number	838-15-3
SMILES	C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)N=[N+]=[N-]
InChIKey	AXCDEMZKQHNYNE-QNDFHXLGSA-N