AC1L4Q1A

1-(2-chlorophenyl)sulfonyl-3-[4-methoxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3,5-triazin-2-yl]urea

Also Known As: 3-(2-Chlorophenyl)sulfonyl-1-(4-methoxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)-1,3,5-triazin-2-yl)urea|1-(2-chlorophenyl)sulfonyl-3-[4-methoxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3,5-triazin-2-yl]urea|N'-(2-Chlorobenzene-1-sulfonyl)-N-{4-[(beta-D-glucopyranosyloxy)methyl]-6-methoxy-1,3,5-triazin-2(1H)-ylidene}carbamimidic acid|N'-(2-Chlorobenzene-1-sulfonyl)-N-{4-[(hexopyranosyloxy)methyl]-6-methoxy-1,3,5-triazin-2(1H)-ylidene}carbamimidic acid

Molecular Formula	C18H22ClN5O10S
Molecular Weight	535.0776 g/mol
LogP	-0.5
Topological Polar Surface Area	231.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	13
Rotatable Bonds	8
Exact Mass	535.0776
Monoisotopic Mass	535.0776
Heavy Atoms	35
Complexity	807.0

Chemical Identifiers

CAS Number	92533-22-7
SMILES	COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChIKey	HHIPRMXVMBFACM-SWMGHYKJSA-N