FP-biotin - ≥99% , CAS No.259270-28-5

CAS: 259270-28-5 Cat. No.: F1288601 Molecular Weight: 592.75 PubChem CID: 24762158

GRADE & PURITY ≥99%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥99%

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

≥99%

Names and Identifiers

• Canonical Smiles: CCOP(=O)(CCCCCCCCCC(=O)NCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)F
• IUPAC Name: 10-[ethoxy(fluoro)phosphoryl]-N-[5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentyl]decanamide
• InChIKey: ZIFSFLGSUTZFCP-UHFFFAOYSA-N
• INCHI: 1S/C27H50FN4O5PS/c1-2-37-38(28,36)20-14-7-5-3-4-6-9-16-24(33)29-18-12-8-13-19-30-25(34)17-11-10-15-23-26-22(21-39-23)31-27(35)32-26/h22-23,26H,2-21H2,1H3,(H,29,33)(H,30,34)(H2,31,32,35)
• Isomeric SMILES: CCOP(=O)(CCCCCCCCCC(=O)NCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)F
• PubChem CID: 24762158
• Molecular Weight: 592.75

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: Thienoimidazolidines Phosphonic acid esters N-acyl amines Imidazolidinones Thiophenes Thiolanes Alkylphosphonofluoridic acids and 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 - Phosphonic acid ester - Fatty acyl - Thiophene - Thiolane - Alkylphosphonofluoridic acid or ester derivatives - Imidazolidine - Organophosphonic acid derivative - Urea - Secondary carboxylic acid amide - Carboxamide group - Dialkylthioether - Thioether - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Hydrocarbon derivative - Organic oxide - 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

• Molecular Weight: 592.700 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 23
• Exact Mass: 592.322 Da
• Monoisotopic Mass: 592.322 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 793.000
• 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