Spiramycin - 10mM in DMSO , CAS No.8025-81-8

CAS: 8025-81-8 Cat. No.: S426067 Fórmula: C₄₃H₇₄N₂O₁₄ Peso molecular: 843.06 Número EC: 232-429-6 PubChem CID: 6419898

CALIDAD & PUREZA 10mM in DMSO

Synonyms

spiramycin|8025-81-8|Formacidine|Prestwick_121|ST075006|Prestwick2_000745|Prestwick3_000745|BPBio1_000804|SCHEMBL5032756|AKOS015896378|SR-01000872632|SR-01000872632-1|Spiramycin, European Pharmacopoeia (EP) Reference Standard|Spiramycin from Streptomyces

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Especificaciones

Sinónimos

spiramycin | 8025-81-8 | Formacidine | Prestwick_121 | ST075006 | Prestwick2_000745 | Prestwick3_000745 | BPBio1_000804 | SCHEMBL5032756 | AKOS015896378 | SR-01000872632 | SR-01000872632-1 | Spiramycin, European Pharmacopoeia (EP) Reference Standard | Spiramycin from Streptomyces

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Macrolide antibiotic. Inhibits bacterial translocation of protein synthesis.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

Pubchem Sid

528775632

Sonrisas canónicas

CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C

IUPAC Name

2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

InChIKey

ACTOXUHEUCPTEW-JMRHEKERSA-N

INCHI

1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26?,27?,28?,29+,30?,31-,32+,34?,35?,36?,37?,38?,39+,40+,41?,42?,43?/m1/s1

Isómeros SMILES

C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C

WGK Alemania

1

RTECS

WG9400000

PubChem CID

6419898

Peso molecular

843.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: Macrolides and analogues Disaccharides O-glycosyl compounds Oxanes Alpha-hydrogen aldehydes Tertiary alcohols 1,2-aminoalcohols Trialkylamines Amino acids and derivatives Carboxylic acid esters Secondary alcohols Lactones Acetals Dialkyl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Macrolide - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Alpha-hydrogen aldehyde - Tertiary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Amine - Alcohol - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Rotación específica [α]: 81 ° (C=2, 10% AcOH)
• Punto de fusión (°C): 134-137°C
• Peso molecular: 843.100 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 11
• Exact Mass: 842.514 Da
• Monoisotopic Mass: 842.514 Da
• Topological Polar Surface Area: 195.000 Ų
• Heavy Atom Count: 59
• Formal Charge: 0
• Complexity: 1370.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• Undefined Atom Stereocenter Count: 12
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1