Spectinomycin sulfate tetrahydrate

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

CAS: 64058-48-6

Molecular Formula	`C14H34N2O15S`
Molecular Weight	502.5 g/mol
Topological Polar Surface Area	216.0 A2
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	17
Rotatable Bonds	2
Exact Mass	502.168
Heavy Atoms	32
Complexity	559.0

Chemical Identifiers

CAS Number	64058-48-6
SMILES	`CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.O.O.O.O.OS(=O)(=O)O`
InChIKey	`OBZDRKHRQYPQDZ-SACNDDTHSA-N`

📖 Product Overview

Spectinomycin sulfate tetrahydrate (CAS: 64058-48-6) is a chemical compound with molecular formula C14H34N2O15S and molecular weight 502.5 g/mol. Its IUPAC systematic name is sulfuric acid;(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;tetrahydrate. Topological Polar Surface Area 216.0 A2 Hydrogen Bond Donors 11 Hydrogen Bond Acceptors 17 Rotatable Bonds 2 Exact Mass 502.168 Heavy Atoms 32 Complexity 559.0 InChI Key: OBZDRKHRQYPQDZ-SACNDDTHSA-N. SMILES: CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.O.O.O.O.OS(=O)(=O)O.

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