Dibekacin sulfateProduct ingredient for Dibekacin
- Name
- Dibekacin sulfate
- Drug Entry
- Dibekacin
Dibekacin is an aminoglycoside antibiotic marketed in Japan 1.
- Accession Number
- DBSALT003094
- Structure
Structure for Dibekacin sulfate (DBSALT003094)
- Synonyms
- Dibekacin sulfate / Dibekacin sulphate
- External IDs
- 261-341-0
- UNII
- A0869I992Z
- CAS Number
- 58580-55-5
- Weight
- Average: 549.59
Monoisotopic: 549.23159289 - Chemical Formula
- C18H39N5O12S
- InChI Key
- GXKUKBCVZHBTJW-USXQJGOZSA-N
- InChI
- InChI=1S/C18H37N5O8.H2O4S/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18;1-5(2,3)4/h6-18,24-27H,1-5,19-23H2;(H2,1,2,3,4)/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+;/m0./s1
- IUPAC Name
- (2S,3R,4S,5S,6R)-4-amino-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,5-diol; sulfuric acid
- SMILES
- OS(O)(=O)=O.[H][C@@]1(O[C@H]2O[C@H](CN)CC[C@H]2N)[C@@H](N)C[C@@H](N)[C@]([H])(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@H]1O
- External Links
- ChemSpider
- 552163
- Predicted Properties
Property Value Source Water Solubility 33.9 mg/mL ALOGPS logP -2.6 ALOGPS logP -5.3 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 12.54 Chemaxon pKa (Strongest Basic) 9.84 Chemaxon Physiological Charge 5 Chemaxon Hydrogen Acceptor Count 13 Chemaxon Hydrogen Donor Count 9 Chemaxon Polar Surface Area 247.94 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 105.38 m3·mol-1 Chemaxon Polarizability 45.88 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon