N-Boc-2-Biotinamidoethylamine - for TLC , CAS No.225797-46-6

CAS: 225797-46-6 Cat. No.: N293556 Peso molecular: 386.51

GRADE & PURITY for TLC

Synonyms

N-Boc-Biotinylethylenediamine|225797-46-6|tert-Butyl (2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)ethyl)carbamate|tert-butyl N-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

N-Boc-Biotinylethylenediamine | 225797-46-6 | tert-Butyl (2-(5-((3aS, 4S, 6aR)-2-oxohexahydro-1H-thieno[3, 4-d]imidazol-4-yl)pentanamido)ethyl)carbamate | tert-butyl N-[2-[5-[(3aS, 4S, 6aR)-2-oxo-1, 3, 3a, 4, 6, 6a-hexahydrothieno[3, 4-d]imidazol-4-yl]pentanoylamino]ethyl

Especificaciones y pureza

for TLC

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Grado

for TLC

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2
• IUPAC Name: tert-butyl N-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl]carbamate
• InChIKey: DEUNEHFEIXQVDG-OBJOEFQTSA-N
• INCHI: 1S/C17H30N4O4S/c1-17(2,3)25-16(24)19-9-8-18-13(22)7-5-4-6-12-14-11(10-26-12)20-15(23)21-14/h11-12,14H,4-10H2,1-3H3,(H,18,22)(H,19,24)(H2,20,21,23)/t11-,12-,14-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)NCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
• Peso molecular: 386.51
• Reaxy-Rn: 35402179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35402179&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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 Carbamate esters Ureas Secondary carboxylic acid amides Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Fatty amide - Imidazolidinone - N-acyl-amine - Fatty acyl - Imidazolidine - Thiolane - Thiophene - Carbamic acid ester - Secondary carboxylic acid amide - Urea - Carboxamide group - Thioether - Azacycle - Carboxylic acid derivative - Dialkylthioether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Sensitive to humidity
• Peso molecular: 386.500 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 386.199 Da
• Monoisotopic Mass: 386.199 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 523.000
• 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