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

• ChemBase编号: 133139
• 分子式: C55H103NO15
• 平均质量: 1018.40402
• 单一同位素质量: 1017.7327716
• SMILES: CCCCCCCCCCCCCCCCCC(=O)O.CC[C@H]1C([C@@H](C(C(=O)[C@H](C[C@]([C@H]([C@@H]([C@H]([C@@H](C(=O)O1)C)O[C@H]1C[C@@]([C@H]([C@@H](O1)C)O)(C)OC)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)N(C)C)O)(C)O)C)C)O)(C)O
• Canonical SMILES: CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C[C@@H](C(=O)C([C@H](C1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C37H67NO13.C18H36O2/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;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-17H2,1H3,(H,19,20)/t18-,19+,20?,21+,22-,23-,24-,25-,26-,28+,29+,30+,31-,32-,34-,35-,36+,37?;/m0./s1
• InChIKey: YAVZHCFFUATPRK-JGJPHTNUSA-N

名称和登记号

名称

• IUPAC标准名: (3S,4R,5R,6S,7S,9S,12R,14S)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione; octadecanoic acid
• IUPAC传统名: (3S,4R,5R,6S,7S,9S,12R,14S)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione; stearic acid
• 别名: Erythromycin stearate

登记号

• CAS号: 643-22-1
• EC号: 211-396-1
• MDL号: MFCD00084690
• PubChem SID: 24894693; 162227416
• PubChem CID: 16219336

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: 23
• 里宾斯基五规则: false

分子性质

安全信息

• RTECS编号: KF5785000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 2
• 危险公开号: 42/43
• 安全公开号: 36
• GHS危险品标识: GHS08
• GHS警示词: Danger
• GHS危险声明: H317-H334
• GHS警示性声明: P261-P280-P342 + P311
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

详细说明

Sigma Aldrich - E9256

Application
Erythromycin stearate is used to study leucocyte motility and transformation and on release in vitro of prostaglandin E2 by stimulated leucocytes1. It is also used to study abnormal polymorphonuclear leucocyte migration and chemotaxis2,3.
Biochem/physiol Actions
Erythromycin inhibits protein synthesis (elongation) at the level of transpeptidation (aminoacyl translocation A-site to P-site) by binding to the 50s subunit of the bacterial 70s rRNA complex.
Erythromycin inhibits protein synthesis (elongation) at the level of transpeptidation (aminoacyl translocation A-site to P-site).