(+)-Biotin-PEG₄-amine - ≥95% , CAS No.663171-32-2

CAS: 663171-32-2 Cat. No.: B122228 Fórmula: C₂₀H₃₈N₄SO₆ Peso molecular: 462.60

GRAU & PUREZA ≥95%

Synonyms

(3aS,4S,6aR)-N-(14-Amino-3,6,9,12-tetraoxatetradec-1-yl)hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide | N-[2-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]biotinamide | N-Biotinyl-3,6,9,12-tetraoxatetradecane-1,14-diamine

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

(3aS,4S,6aR)-N-(14-Amino-3,6,9,12-tetraoxatetradec-1-yl)hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide | N-[2-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]biotinamide | N-Biotinyl-3,6,9,12-tetraoxatetradecane-1,14-diamine

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

528773404

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528773404

Sorrisos canónicos

C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCN)NC(=O)N2

IUPAC Name

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide

InChIKey

GVGZXRGPGZMYTB-LNLFQRSKSA-N

INCHI

1S/C20H38N4O6S/c21-5-7-27-9-11-29-13-14-30-12-10-28-8-6-22-18(25)4-2-1-3-17-19-16(15-31-17)23-20(26)24-19/h16-17,19H,1-15,21H2,(H,22,25)(H2,23,24,26)/t16-,17-,19-/m0/s1

SMILES isoméricas

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCN)NC(=O)N2

Peso molecular

462.60

Reaxy-Rn

34371549

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34371549&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Biotin and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Biotin and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Biotin and derivatives
• Alternative Parents: Thienoimidazolidines N-acyl amines Imidazolidinones Thiophenes Thiolanes Ureas Secondary carboxylic acid amides Amino acids and derivatives Dialkylthioethers Dialkyl ethers Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Fatty amide - Fatty acyl - Imidazolidinone - N-acyl-amine - Imidazolidine - Thiophene - Thiolane - Amino acid or derivatives - Carboxamide group - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Dialkylthioether - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
• 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive；Heat sensitive
• Peso molecular: 462.600 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 19
• Exact Mass: 462.251 Da
• Monoisotopic Mass: 462.251 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 516.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 1