Trospectomycin Sulfate

(1R,3S,5R,8R,10R,11S,12S,13R,14S)-5-butyl-8,12,14-trihydroxy-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;sulfuric acid;pentahydrate

Also Known As: Spexil|TROSPECTOMYCIN SULFATE|Trospectomycin sulphate|Trospectomycinsulfat|Trospectomycin sulfate [USAN]|trospectomycin sulfate pentahydrate|Trospectomycin sulfate (USAN)|U-63366F|U-63,366F|TROSPECTOMYCIN SULFATE PENTAHYDRATE [MI]|(1R,3S,5R,8R,10R,11S,12S,13R,14S)-5-butyl-8,12,14-trihydroxy-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;sulfuric acid;pentahydrate|(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-Butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-4H-pyrano(2,3-b)(1,4)benzodioxin-4-one sulfate (1:1) (salt), pentahydrate|(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-Butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-4H-pyrano[2,3-b][1,4]benzodioxin-4-one sulfate (1:1) (salt), pentahydrate|4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, 2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-, (2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-, sulfate (1:1) (salt)|4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, 2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-, (2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-, sulfate (1:1) (salt), pentahydrate

Molecular Formula	C17H42N2O16S
Molecular Weight	562.2255 g/mol
LogP	-6.5316
Topological Polar Surface Area	361.61 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	562.2255
Monoisotopic Mass	562.2255
Heavy Atoms	36
Complexity	721.4573

Chemical Identifiers

CAS Number	97673-66-0
SMILES	CCCC[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O.O.O.O.O.O.OS(=O)(=O)O