(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methyldec-9-enoic acid - ≥95% , CAS No.288617-75-4

CAS: 288617-75-4 Cat. No.: S192547 Peso molecular: 421.53 Número EC: 803-598-9 PubChem CID: 45489834

GRADE & PURITY ≥95%

Synonyms

AC-27578 | BCP11118 | C26H31NO4 | F12099 | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methyldec-9-enoicacid | SS-4965 | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyldec-9-enoic acid | A819637 | (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AC-27578 | BCP11118 | C26H31NO4 | F12099 | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methyldec-9-enoicacid | SS-4965 | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyldec-9-enoic acid | A819637 | (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504770601
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770601
• Sonrisas canónicas: CC(CCCCCCC=C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyldec-9-enoic acid
• InChIKey: MADFVGMQNXRFAF-SANMLTNESA-N
• INCHI: 1S/C26H31NO4/c1-3-4-5-6-7-12-17-26(2,24(28)29)27-25(30)31-18-23-21-15-10-8-13-19(21)20-14-9-11-16-22(20)23/h3,8-11,13-16,23H,1,4-7,12,17-18H2,2H3,(H,27,30)(H,28,29)/t26-/m0/s1
• Isómeros SMILES: C[C@](CCCCCCC=C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• WGK Alemania: 3
• PubChem CID: 45489834
• Peso molecular: 421.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Alpha amino acids and derivatives Medium-chain fatty acids Methyl-branched fatty acids Amino fatty acids Unsaturated fatty acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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: Moisture sensitive
• Peso molecular: 421.500 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 421.225 Da
• Monoisotopic Mass: 421.225 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 599.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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