(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0^{3,8}]tetradecan-7-one dihydrochloride

• ChemBase编号: 73055
• 分子式: C14H26Cl2N2O7
• 平均质量: 405.27144
• 单一同位素质量: 404.11170654
• SMILES: [C@H]1([C@@H]([C@@H]([C@@H]2[C@@H]([C@H]1O)O[C@H]1[C@@](O2)(C(=O)C[C@H](O1)C)O)NC)O)NC.Cl.Cl
• Canonical SMILES: CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@@]3(O[C@@H]2[C@H]([C@H]1O)NC)O.Cl.Cl
• InChI: InChI=1S/C14H24N2O7.2ClH/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;/m1../s1
• InChIKey: FOGDPGQSHLLYIK-XYQGXRRISA-N

名称和登记号

名称

• IUPAC标准名: (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0^{3,8}]tetradecan-7-one dihydrochloride; (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0^3,^8]tetradecan-7-one dihydrochloride
• IUPAC传统名: spectinomycin dihydrochloride; prospec dihydrochloride
• 别名: Spectinomycin hydrochloride; (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0^{3,8}]tetradecan-7-one dihydrochloride

登记号

• CAS号: 21736-83-4
• MDL号: MFCD00070403
• PubChem SID: 162037975
• PubChem CID: 64740

理论计算性质

• Acid pKa: 8.576982
• 质子受体: 9
• 质子供体: 5
• LogD (pH = 5.5): -5.963829
• LogD (pH = 7.4): -3.421742
• Log P: -2.3693373
• 摩尔折射率: 75.4362 cm^3
• 极化性: 31.587643 Å^3
• 极化表面积: 129.51 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 210 - 212°C
• 疏水性(logP): -2.878

安全信息

• 保存条件: -20°C

产品相关信息

• 纯度: 95%
• 成盐信息: hydrochloride

详细说明

Selleck Chemicals - S2510

Research Area: Infection
Biological Activity:
Spectinomycin hydrochloride is a new parenteral antibiotic prepared from Streptomyces spectabilis. Spectinomycin (HCl) is structurally related to aminoglycosides. Spectinomycin lacks amino sugar and glycosidic bonds. Spectinomycin has moderate antibacterial activity against many gram positive and gram negative bacteria but Spectinomycin (HCl) is especially effective against Niesseria gonorrhoeae. [1][2]

参考文献

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