Fosfato de tilosina - ≥95% , CAS No.1405-53-4

CAS: 1405-53-4 Cat. No.: T131671 Fórmula: C₄₆H₇₇NO₁₇·H₃PO₄ Peso molecular: 1014.1 Número CE: 215-779-4 PubChem CID: 6440844

GRAU & PUREZA ≥95%

Synonyms

TYLAN 100 | Tylan 10, Tylan 40, Tylan 100, Tylan 100 CAL | Tylosin phosphate, VETRANAL(TM), analytical standard | Tylosin, phosphate (salt) | Tylovet 100Type A Medicated Article | Tylosin (phosphate) | HY-B0519B | SMR001562104 | Tylosin phosphate and bent

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Especificações

Sinónimos

TYLAN 100 | Tylan 10, Tylan 40, Tylan 100, Tylan 100 CAL | Tylosin phosphate, VETRANAL(TM), analytical standard | Tylosin, phosphate (salt) | Tylovet 100Type A Medicated Article | Tylosin (phosphate) | HY-B0519B | SMR001562104 | Tylosin phosphate and bent

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504764191

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764191

Sorrisos canónicos

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.OP(=O)(O)O

IUPAC Name

2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde;phosphoric acid

InChIKey

NBOODGNJLRRJNA-IAGPQMRQSA-N

INCHI

1S/C46H77NO17.H3O4P/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;1-5(2,3)4/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;(H3,1,2,3,4)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-;/m1./s1

SMILES isoméricas

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.OP(=O)(O)O

WGK Alemanha

2

PubChem CID

6440844

Peso molecular

1014.1

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: Macrolides and analogues Disaccharides O-glycosyl compounds Oxanes Organic phosphoric acids and derivatives Alpha-hydrogen aldehydes Tertiary alcohols 1,2-aminoalcohols Trialkylamines Amino acids and derivatives Carboxylic acid esters Cyclic ketones 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 - Organic phosphoric acid derivative - Oxane - Alpha-hydrogen aldehyde - Tertiary alcohol - Secondary alcohol - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Lactone - Ketone - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Acetal - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxide - Aldehyde - Alcohol - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 1014.100 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 13
• Exact Mass: 1013.5 Da
• Monoisotopic Mass: 1013.5 Da
• Topological Polar Surface Area: 316.000 Ų
• Heavy Atom Count: 69
• Formal Charge: 0
• Complexity: 1610.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 21
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 2

XLogP3

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1405-53-4, the molecular formula is C46H80NO21P, and the molecular weight is 1014.1 g/mol. InChIKey NBOODGNJLRRJNA-IAGPQMRQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.