(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(3R,4S,5R)-4-{[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}oxane-3,4-diol; sulfuric acid

• ChemBase ID: 73157
• Molecular Formular: C23H48N6O17S
• Molecular Mass: 712.72222
• Monoisotopic Mass: 712.27966511
• SMILES: [C@@H]1([C@@H]([C@H]([C@H](O[C@@H]1CN)O[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1OC1O[C@@H]([C@H]([C@H]1O)O[C@H]1O[C@H]([C@H]([C@@H]([C@H]1N)O)O)CN)CO)O)N)N)N)O)O.S(=O)(=O)(O)O
• Canonical SMILES: OS(=O)(=O)O.OC[C@H]1OC([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1N)O)O)N
• InChI: InChI=1S/C23H46N6O13.H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23?;/m1./s1
• InChIKey: OIXVKQDWLFHVGR-ZGBYEKJCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(3R,4S,5R)-4-{[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}oxane-3,4-diol; sulfuric acid
• IUPAC Traditional name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(3R,4S,5R)-4-{[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}oxane-3,4-diol; sulfuric acid
• Synonyms: Neomycin sulfate

Database IDs

• CAS Number: 1405-10-3
• PubChem SID: 162038077
• PubChem CID: 71299257

CALCULATED PROPERTIES

• Acid pKa: 12.291083
• H Acceptors: 19
• H Donor: 13
• LogD (pH = 5.5): -24.511583
• LogD (pH = 7.4): -15.933928
• Log P: -8.415177
• Molar Refractivity: 135.9003 cm^3
• Polarizability: 58.22208 Å^3
• Polar Surface Area: 353.11 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: -20°C

Product Information

• Salt Data: sulfate

DETAILS

Selleck Chemicals - S2568

Research Area: Infection
Biological Activity:
Neomycin sulphate belongs to a class of antibiotics known as the aminoglycosides. Neomycin sulphate belongs to a class of antibiotics known as the aminoglycosides. Neomycin sulphate is bactericidal in action (kills bacteria). Neomycin sulphate (Neomycin sulphate) does this by causing the bacteria to produce defective proteins which are essential for their growth. Neomycin sulphate is an antibiotic, active against many strains of Gram-positive and Gram-negative bacteria including Staph. aureus, E. coli, Klebsiella spp., H. influenzae, S. typhi, Shigella and Mycobacterium tuberculosis. It is ineffective against fungi and viruses. [1]

REFERENCES

• http://en.wikipedia.org/wiki/Neomycin