N-(+)-Biotinyl-6-aminohexanoic acid - ≥97%(HPLC) , CAS No.72040-64-3

CAS: 72040-64-3 Cat. No.: B122222 Molecular Weight: 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

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Biotinyl-6-aminohexanoic acid (Biotin-X) may be used in the biosynthesis of biotinylated oligosaccharides. Biotinyl-6-aminohexanoic acid is frequently use as a derivative N-hydroxysuccinimide ester.
Biotinylation reagent

Specifications

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

Specifications & Purity

≥97%(HPLC)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 504758863
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758863
• Canonical Smiles: 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
• Isomeric SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2
• WGK Germany: 3
• Molecular Weight: 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
    • Class Biotin and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Melt Point(°C): 230°C
• Molecular Weight: 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