6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione

• ChemBase编号: 105431
• 分子式: C37H67NO13
• 平均质量: 733.92678
• 单一同位素质量: 733.46124121
• SMILES: CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
• Canonical SMILES: CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O
• InChI: InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3
• InChIKey: ULGZDMOVFRHVEP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
• IUPAC传统名: @erythromycin
• 别名: E-mycin, Erycin, Robimysin; ERYTHROMYCIN

登记号

• CAS号: 114-07-8
• EC号: 204-040-1
• PubChem SID: 162093836
• PubChem CID: 3255

理论计算性质

• Acid pKa: 12.438841
• 质子受体: 13
• 质子供体: 5
• LogD (pH = 5.5): -0.1920999
• LogD (pH = 7.4): 1.5732646
• Log P: 2.5963888
• 摩尔折射率: 186.0371 cm^3
• 极化性: 75.76136 Å^3
• 极化表面积: 193.91 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 135 to 140 °C

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: KF4375000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 危险公开号: R:22
• 安全公开号: S:36/37/39

产品相关信息

• 纯度: ~98%

详细说明

MP Biomedicals - 02194529

Cell Culture Reagent
Purity: ~98%
Inhibits bacterial protein synthesis
by binding to the ribosomes.

MP Biomedicals - 02190197

Crystalline
Purity: ~98%
Inhibits bacterial protein synthesis
by binding to the ribosomes.

参考文献

• Teraoka, H., Umsch. Wiss. Tech. , 77 : 347 (1977).
• Teraoka, H., Umsch. Wiss. Tech. , 77 : 347 (1977).