2-[(4,6-diamino-3-{[3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol; bis(sulfuric acid)

• ChemBase ID: 105093
• Molecular Formular: C20H44N4O18S2
• Molecular Mass: 692.70936
• Monoisotopic Mass: 692.20920259
• SMILES: CNC1C(O)C(OCC1(C)O)OC1C(N)CC(N)C(OC2OC(C(C)O)C(O)C(O)C2N)C1O.OS(=O)(=O)O.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.OS(=O)(=O)O.CNC1C(O)C(OCC1(C)O)OC1C(N)CC(C(C1O)OC1OC(C(O)C)C(C(C1N)O)O)N
• InChI: InChI=1S/C20H40N4O10.2H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;2*1-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;2*(H2,1,2,3,4)
• InChIKey: UHEPSJJJMTWUCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4,6-diamino-3-{[3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol; bis(sulfuric acid)
• IUPAC Traditional name: antibiotic G418; bis(sulfuric acid)
• Synonyms: Antibiotic G418; GENETICIN® DISULFATE SALT

Database IDs

• CAS Number: 108321-42-2
• PubChem SID: 162092252
• PubChem CID: 16760463

CALCULATED PROPERTIES

• Acid pKa: 12.420779
• H Acceptors: 14
• H Donor: 10
• LogD (pH = 5.5): -16.208046
• LogD (pH = 7.4): -10.701025
• Log P: -5.3008466
• Molar Refractivity: 114.0036 cm^3
• Polarizability: 48.22068 Å^3
• Polar Surface Area: 248.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 2-8°C

Product Information

• Purity: ~98%

DETAILS

MP Biomedicals - 02158782

Cell Culture Grade
Disulfate Salt
Purity: ~98%
Geneticin is an aminoglycoside related to Gentamicin and is toxic to bacteria, yeast, higher plants, mammalian cells, protozoans and helminths. The resistance genes are located on transposons Tn601(903) & Tn5 and are bacterial in derivation, but they can be expressed in eucaryotic cells. By introducing these genes into cells, resistance to Geneticin is conferred. Potency: > 450μg/mg.Geneticin™ is a registered trademark of Life Technologies, Inc.