Erythromycin estolate - ≥600 units/mg , Bacterial 70S ribosome inhibitor, CAS No.3521-62-8, Bacterial 70S ribosome inhibitor

CAS: 3521-62-8 Cat. No.: E303515 分子式: C₅₂H₉₇NO₁₈S 分子量: 1056.39 EC番号: 222-532-4

GRADE & PURITY ≥600 units/mg

Synonyms

ERYTHROMYCIN ESTOLATE (EP MONOGRAPH) | ERYTHROMYCIN, 2'-PROPANOATE, DODECYL SULPHATE (SALT) | Ery-Toxinal dodecylsulfate | HMS1921N13 | XRJ2P631HP | Erythromycin 2'-propionate dodecyl sulfate (salt) | ERYTHROMYCIN 2'-PROPIONATE DODECYL SULFATE (SALT). | E

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

ERYTHROMYCIN ESTOLATE (EP MONOGRAPH) | ERYTHROMYCIN, 2'-PROPANOATE, DODECYL SULPHATE (SALT) | Ery-Toxinal dodecylsulfate | HMS1921N13 | XRJ2P631HP | Erythromycin 2'-propionate dodecyl sulfate (salt) | ERYTHROMYCIN 2'-PROPIONATE DODECYL SULFATE (SALT). | E

仕様と純度

≥600 units/mg

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

作用メカニズム

Bacterial 70S ribosome inhibitor

名前と識別子

パブケム・シド

508812427

カノニカル・スマイル

CCCCCCCCCCCCOS(=O)(=O)O.CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O

IUPAC Name

[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-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-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoate;dodecyl hydrogen sulfate

InChIKey

AWMFUEJKWXESNL-JZBHMOKNSA-N

INCHI

1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;/m1./s1

異性体SMILES

CCCCCCCCCCCCOS(=O)(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O

分子量

1056.39

Reaxy-Rn

28936359

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28936359&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid monoesters
• Alternative Parents: Dicarboxylic acids and derivatives Alkyl sulfates Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Dicarboxylic acid or derivatives - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group, with the generic structure ROS(O)(=O)=O, (R=organyl group).
• External Descriptors: Macrolides and lactone polyketides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Freely soluble in organic solvents, practically insoluble in water
• 感度: Light sensitive
• 融点（°C）: 135-140°C
• 分子量: 1056.400 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 22
• Exact Mass: 1055.64 Da
• Monoisotopic Mass: 1055.64 Da
• Topological Polar Surface Area: 272.000 Ų
• Heavy Atom Count: 72
• Formal Charge: 0
• Complexity: 1550.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3