Ambutyrosin sulfate

4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid;dihydrate

Also Known As: Butirosin sulphate|Ambutyrosin sulfate|BUTIROSIN SULFATE|Butirosin, sulfate (salt)|Butirosin sulphate anhydrous|BUTIROSIN DISULFATE|Butirosin Sulfate Anhydrous|04RSK7X93N|AC1L22M3|Butirosin sulfate [USAN:BAN]|CL 642|Butirosin sulfate anhydrous [USAN]|CI-642|D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, sulfate (1:2) (salt) dihydrate mixture with O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-ribofuranosyl-(1-5))-N(sup 1)-((S)-4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-D-streptamine sulfate (1:2) (salt) anhydrous|O-2,6-Diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-D-streptamine sulfate (1:2) (salt) dihydrate mixture with O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-ribofuranosyl-(1-5))-N(sup 1)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-D-streptamine sulfate (1:2) (salt) anhydrous|4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-{[(3xi)-beta-D-erythro-pentofuranosyl]oxy}cyclohexyl]-2-hydroxybutanimidic acid--sulfuric acid--water (1/2/2)|4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide; sulfuric acid; dihydrate|4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid;dihydrate|4-Amino-N-{5-amino-4-[(2,6-diamino-2,6-dideoxyhexopyranosyl)oxy]-2-hydroxy-3-(pentofuranosyloxy)cyclohexyl}-2-hydroxybutanimidic acid--sulfuric acid--water (1/2/2)

Molecular Formula	C21H49N5O22S2
Molecular Weight	787.2311 g/mol
LogP	-10.74
Topological Polar Surface Area	523.91 Ų
Hydrogen Bond Donors	16
Hydrogen Bond Acceptors	20
Rotatable Bonds	10
Exact Mass	787.2311
Heavy Atoms	50
Complexity	1158.7

Chemical Identifiers

CAS Number	51022-98-1
SMILES	C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)C(CCN)O)O)O[C@H]2[C@@H](C([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N.O.O.OS(=O)(=O)O.OS(=O)(=O)O