Spectinomycin sulfateProduct ingredient for Spectinomycin
- Name
- Spectinomycin sulfate
- Drug Entry
- Spectinomycin
An antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of gonorrhea.
- Accession Number
- DBSALT002282
- Structure
Structure for Spectinomycin sulfate (DBSALT002282)
- Synonyms
- Not Available
- UNII
- BZ0H4TLF9X
- CAS Number
- 23312-56-3
- Weight
- Average: 430.43
Monoisotopic: 430.125730839 - Chemical Formula
- C14H26N2O11S
- InChI Key
- XGBFWQUQYQIFLB-MTTMTQIXSA-N
- InChI
- InChI=1S/C14H24N2O7.H2O4S/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;1-5(2,3)4/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4)/t5-,7-,8+,9+,10+,11-,12-,13+,14+;/m1./s1
- IUPAC Name
- (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0^{3,8}]tetradecan-7-one; sulfuric acid
- SMILES
- OS(O)(=O)=O.CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O
- External Links
- ChemSpider
- 58305
- ChEMBL
- CHEMBL1969020
- Predicted Properties
Property Value Source Water Solubility 150.0 mg/mL ALOGPS logP -1.4 ALOGPS logP -2.2 Chemaxon logS -0.35 ALOGPS pKa (Strongest Acidic) 8.5 Chemaxon pKa (Strongest Basic) 9.17 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 129.51 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 75.44 m3·mol-1 Chemaxon Polarizability 33.38 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon