Fmoc-D-Biocytin , CAS No.5102536

CAS: 5102536 Cat. No.: F941024 Peso molecular: 594.700

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)NC(=O)N2
• IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid
• InChIKey: OFIBQNGDYNGUEZ-UHFFFAOYSA-N
• INCHI: 1S/C31H38N4O6S/c36-27(15-6-5-14-26-28-25(18-42-26)33-30(39)35-28)32-16-8-7-13-24(29(37)38)34-31(40)41-17-23-21-11-3-1-9-19(21)20-10-2-4-12-22(20)23/h1-4,9-12,23-26,28H,5-8,13-18H2,(H,32,36)(H,34,40)(H,37,38)(H2,33,35,39)
• Peso molecular: 594.700

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: Fluorenes Alpha amino acids and derivatives Thienoimidazolidines Medium-chain fatty acids Heterocyclic fatty acids N-acyl amines Imidazolidinones Thiophenes Thiolanes Carbamate esters Ureas Secondary carboxylic acid amides Dialkylthioethers Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Fluorene - Alpha-amino acid or derivatives - Thienoimidazolidine - Medium-chain fatty acid - Heterocyclic fatty acid - Fatty amide - Imidazolidinone - N-acyl-amine - Fatty acyl - Benzenoid - Fatty acid - Thiophene - Thiolane - Carbamic acid ester - Imidazolidine - Carboxamide group - Urea - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Dialkylthioether - Thioether - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic 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

• Peso molecular: 594.700 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 15
• Exact Mass: 594.251 Da
• Monoisotopic Mass: 594.251 Da
• Topological Polar Surface Area: 171.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 946.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1