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

• ChemBase ID: 105409
• Molecular Formular: C21H45N5O11S
• Molecular Mass: 575.6739
• Monoisotopic Mass: 575.28362829
• SMILES: CNC(C)C1CCC(N)C(O1)OC1C(N)CC(N)C(OC2OCC(C)(O)C(NC)C2O)C1O.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.CNC(C1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N)C
• InChI: InChI=1S/C21H43N5O7.H2O4S/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;1-5(2,3)4/h9-20,25-29H,5-8,22-24H2,1-4H3;(H2,1,2,3,4)
• InChIKey: NWQISSNHRDDWRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[4,6-diamino-3-({3-amino-6-[1-(methylamino)ethyl]oxan-2-yl}oxy)-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid
• IUPAC Traditional name: refobacin; sulfuric acid
• Synonyms: Gentamycin Sulfate; GENTAMICIN SULFATE USP GRADE; GENTAMICIN SULFATE; Garamycin; Genoptic; GM Sulfate; GENTAMICIN SULFATE γ-IRRADIATED

Database IDs

• CAS Number: 1405-41-0
• EC Number: 215-778-9
• PubChem SID: 162092142
• PubChem CID: 44134730

CALCULATED PROPERTIES

• Acid pKa: 12.549178
• H Acceptors: 12
• H Donor: 8
• LogD (pH = 5.5): -17.685123
• LogD (pH = 7.4): -11.792577
• Log P: -3.1371555
• Molar Refractivity: 118.0207 cm^3
• Polarizability: 49.566326 Å^3
• Polar Surface Area: 199.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 218-237°C (as powder)

Safety Information

• Storage Condition: 2-8°C
• RTECS: LY2625000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

Product Information

• Grade: USP

DETAILS

MP Biomedicals - 02194530

Cell Culture Reagent
Crystalline
Potency:
Approx. 600 micrograms Gentamicin per mg.

MP Biomedicals - 02194789

γ-Irradiated
Molecular Biology Reagent
Inhibits protein synthesis.
Potency: Approx. 600 micrograms gentamicin/mg.

MP Biomedicals - 02190057

Crystalline
Potency:
Approx. 600 micrograms Gentamicin per mg.