(1R,3S,8E,12R,14E,16E,18E,20E,24S,25R,26S)-22-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.0^{5,7}]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid

• ChemBase编号: 72718
• 分子式: C33H47NO13
• 平均质量: 665.72518
• 单一同位素质量: 665.30474057
• SMILES: [C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)OC1/C=C/C=C/C=C/C=C/C[C@H](OC(=O)/C=C/C2C(C[C@@H](C[C@@]3(C[C@@H]([C@H]([C@@H](O3)C1)C(=O)O)O)O)O)O2)C)C)O)N
• Canonical SMILES: C[C@@H]1C/C=C/C=C/C=C/C=C/C(O[C@@H]2O[C@H](C)[C@H]([C@@H]([C@@H]2O)N)O)C[C@@H]2O[C@@](C[C@H](CC3C(/C=C/C(=O)O1)O3)O)(O)C[C@@H]([C@H]2C(=O)O)O
• InChI: InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21?,22+,23?,24?,25?,27-,28+,29-,30+,32+,33-/m1/s1
• InChIKey: NCXMLFZGDNKEPB-RBWDKJLTSA-N

名称和登记号

名称

• IUPAC标准名: (1R,3S,8E,12R,14E,16E,18E,20E,24S,25R,26S)-22-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.0^{5,7}]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid
• IUPAC传统名: (1R,3S,8E,12R,14E,16E,18E,20E,24S,25R,26S)-22-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.0^{5,7}]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid
• 别名: Natacyn; Pimaricin; Natamycin(Pimaricin)

登记号

• CAS号: 7681-93-8
• PubChem SID: 162037639
• PubChem CID: 49867925

理论计算性质

• Acid pKa: 3.5797393
• 质子受体: 13
• 质子供体: 7
• LogD (pH = 5.5): -1.6976327
• LogD (pH = 7.4): -1.70116
• Log P: -1.6949131
• 摩尔折射率: 169.8826 cm^3
• 极化性: 66.246475 Å^3
• 极化表面积: 230.99 Å^2
• 可自由旋转的化学键: 3
• 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: Free Base

详细说明

Selleck Chemicals - S1517

Research Area: Infection
Biological Activity:
Natamycin(Pimaricin) is a naturally occurring antifungal agent produced during fermentation by the bacterium Streptomyces natalensis. Most Molds have an MIC(Minimum inhibitory concentration) of <10ppm. Natamycin(Pimaricin) is classified as a macrolide polyene antifungal. As a drug, it is used to treat fungal keratitis. It is especially effective against Aspergillus and Fusarium corneal infections. [1]

参考文献

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