Dansylparomomycin

5-[[(2S,3R,4R,5S,6R)-2,6-diamino-4-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-[(1S,2R,3R,4R,5R)-2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-5-hydroxycyclohexyl]-methylamino]naphthalene-1-sulfonic acid

Also Known As: Dansylparomomycin|Dansyl-paromomycin|5-[[(2S,3R,4R,5S,6R)-2,6-diamino-4-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-[(1S,2R,3R,4R,5R)-2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-5-hydroxycyclohexyl]-methylamino]naphthalene-1-sulfonic acid|D-Streptamine, O-2-amino-2-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(O-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1-6)-beta-D-ribofuranosyl-(1-5))-2-deoxy-, N-((5-(dimethylamino)-1-naphthalenyl)sulfonyl) deriv.

Molecular Formula	C35H56N6O16S
Molecular Weight	848.34735 g/mol
LogP	-8.9
Topological Polar Surface Area	404.0 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	22
Rotatable Bonds	12
Exact Mass	848.34735
Monoisotopic Mass	848.34735
Heavy Atoms	58
Complexity	1460.0

Chemical Identifiers

CAS Number	85166-09-2
SMILES	CN(C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@H]2C[C@@H]([C@H]([C@@H]([C@H]2N)O)O)CO)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N)C5=CC=CC6=C5C=CC=C6S(=O)(=O)O
InChIKey	CBFGHNKLNZKJFG-WKAYCUICSA-N