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

• ChemBase编号: 73037
• 分子式: C21H45N5O11S
• 平均质量: 575.6739
• 单一同位素质量: 575.28362829
• SMILES: [C@]1(C([C@H](C(OC1)O[C@@H]1C(O)C([C@H](C[C@H]1N)N)O[C@H]1O[C@@H](CC[C@H]1N)C(C)NC)O)NC)(C)O.S(=O)(=O)(O)O
• Canonical SMILES: OS(=O)(=O)O.CNC([C@@H]1CC[C@H]([C@H](O1)OC1[C@@H](N)C[C@H]([C@@H](C1O)OC1OC[C@](C([C@H]1O)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)/t9?,10-,11+,12-,13+,14?,15-,16?,17+,18?,19-,20?,21+;/m1./s1
• InChIKey: NWQISSNHRDDWRM-UAZJPPNASA-N

名称和登记号

名称

• IUPAC标准名: (3R,5R)-2-{[(1S,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid
• IUPAC传统名: (3R,5R)-2-{[(1S,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid
• 别名: Gentacycol; Gentamicins; Gentamycinum; Gentamycin sulfate

登记号

• CAS号: 1405-41-0
• PubChem SID: 162037957
• PubChem CID: 53245640

理论计算性质

• Acid pKa: 12.549178
• 质子受体: 12
• 质子供体: 8
• LogD (pH = 5.5): -17.685123
• LogD (pH = 7.4): -11.792577
• Log P: -3.1371555
• 摩尔折射率: 118.0207 cm^3
• 极化性: 49.566326 Å^3
• 极化表面积: 199.73 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: sulfate

详细说明

Selleck Chemicals - S2472

Research Area: Infection
Biological Activity:
Gentamycin(Gentacycol) is an aminoglycoside antibiotic and was isolated from Micromonospora species. It is a broad-spectrum cell culture antibiotic that is nontoxic to viruses and mammalian cells at antibacterial and antimycoplasmal concentrations. Its extended stability and slow development of bacterial resistance allow long-term virus and tissue culture studies. It is not used for Neisseria gonorrhoeae, Neisseria meningitidis or Legionella pneumophila bacterial infections (because of the risk of the patient going into shock from lipid A endotoxin found in certain Gram-negative organisms). Gentamicin is also useful against Yersinia pestis and its relatives although need for treatment in most cases is rare, as this bacterium is the one that causes plague. [1]

参考文献

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