sodium (2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoate

• ChemBase编号: 72959
• 分子式: C36H61NaO11
• 平均质量: 692.85271
• 单一同位素质量: 692.41115705
• SMILES: [C@@H]1(O[C@]2(C[C@@H]([C@H]1C)O)CC[C@](O2)([C@@H]1O[C@@](CC1)([C@H]1[C@H](C[C@@H](O1)[C@@H]1[C@H](C[C@H]([C@](O1)(O)CO)C)C)C)CC)C)[C@H]([C@H]([C@H](C)C(=O)[O-])OC)C.[Na+]
• Canonical SMILES: CO[C@H]([C@@H]([C@H]1O[C@@]2(CC[C@@](O2)(C)[C@H]2CC[C@@](O2)(CC)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@@](O)(CO)[C@@H](C[C@@H]2C)C)C[C@@H]([C@H]1C)O)C)[C@@H](C(=O)[O-])C.[Na+]
• InChI: InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1
• InChIKey: XOIQMTLWECTKJL-FBZUZRIGSA-M

名称和登记号

名称

• IUPAC标准名: sodium (2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoate
• IUPAC传统名: sodium (2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoate
• 别名: Coban; Sodium monensin; Coban 45; Monensin sodium salt

登记号

• CAS号: 22373-78-0
• PubChem SID: 162037879
• PubChem CID: 23667299

理论计算性质

• Acid pKa: 4.23616
• 质子受体: 11
• 质子供体: 3
• LogD (pH = 5.5): 3.5317411
• LogD (pH = 7.4): 1.8076522
• Log P: 4.816267
• 摩尔折射率: 183.2169 cm^3
• 极化性: 69.90572 Å^3
• 极化表面积: 156.2 Å^2
• 可自由旋转的化学键: 10
• 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: sodium salt

详细说明

Selleck Chemicals - S2324

Research Area: Infection
Biological Activity:
Monensin sodium salt(Coban), isolated from Streptomyces cinnamonensis, is a well-known representative of naturally polyether ionophore antibiotics. Monensin is used extensively in the beef and dairy industries to prevent coccidiosis. Furthermore monensin, but also its derivatives monensin methyl ester (MME),and particularly monensin decyl ester (MDE) are widely used in ion selective electrodes. [1]

参考文献

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