(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编号: 73157
• 分子式: C23H48N6O17S
• 平均质量: 712.72222
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: (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传统名: (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
• 别名: Neomycin sulfate

登记号

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

理论计算性质

• Acid pKa: 12.291083
• 质子受体: 19
• 质子供体: 13
• LogD (pH = 5.5): -24.511583
• LogD (pH = 7.4): -15.933928
• Log P: -8.415177
• 摩尔折射率: 135.9003 cm^3
• 极化性: 58.22208 Å^3
• 极化表面积: 353.11 Å^2
• 可自由旋转的化学键: 9
• 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 - 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]

参考文献

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