Ácido N-(+)-biotinil-6-aminohexanoico - ≥97%(HPLC) , CAS No.72040-64-3

CAS: 72040-64-3 Cat. No.: B122222 Peso molecular: 357.47 Beilstein Registry Number: 706392

GRADE & PURITY ≥97%(HPLC)

Synonyms

BH7 | (+)-Biotin-LC | 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoic acid | PD007353 | 6-[5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acid | MFCD00144853 | DB03139 | N-(+)-Bio

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Descripción general

El ácido biotinil-6-aminohexanoico (Biotin-X) puede utilizarse en la biosíntesis de oligosacáridos biotinilados. El ácido biotinil-6-aminohexanoico se utiliza frecuentemente como éster N-hidroxisuccinimida derivado.
Reactivo de biotinilación

Specifications

Sinónimos

BH7 | (+)-Biotin-LC | 6-[5-[(3aS, 4S, 6aR)-2-oxo-1, 3, 3a, 4, 6, 6a-hexahydrothieno[3, 4-d]imidazol-4-yl]pentanoylamino]hexanoic acid | PD007353 | 6-[5-(2-oxo-hexahydro-thieno[3, 4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acid | MFCD00144853 | DB03139 | N-(+)-Bio

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504758863
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758863
• Sonrisas canónicas: C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2
• IUPAC Name: 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoic acid
• InChIKey: CMUGHZFPFWNUQT-HUBLWGQQSA-N
• INCHI: 1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1
• Isómeros SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2
• WGK Alemania: 3
• Peso molecular: 357.47
• Beilstein: 706392
• Reaxy-Rn: 706392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=706392&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: Medium-chain fatty acids Thienoimidazolidines Heterocyclic fatty acids Imidazolidinones N-acyl amines Thiophenes Thiolanes Ureas Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Medium-chain fatty acid - Heterocyclic fatty acid - Fatty amide - Imidazolidinone - N-acyl-amine - Fatty acyl - Fatty acid - Imidazolidine - Thiolane - Thiophene - Carboxamide group - Carbonic acid derivative - Secondary carboxylic acid amide - Urea - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Dialkylthioether - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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: Heat Sensitive
• Punto de fusión (°C): 230°C
• Peso molecular: 357.500 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 357.172 Da
• Monoisotopic Mass: 357.172 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 461.000
• 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