Fmoc-Dab(Dnp)-OH - ≥98% , CAS No.1263047-22-8

CAS: 1263047-22-8 Cat. No.: F968147 PubChem CID: 51340515

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
• IUPAC Name: (2S)-4-(2,4-dinitroanilino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
• InChIKey: HBHWAVNNODKLBE-QFIPXVFZSA-N
• INCHI: 1S/C25H22N4O8/c30-24(31)22(11-12-26-21-10-9-15(28(33)34)13-23(21)29(35)36)27-25(32)37-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,13,20,22,26H,11-12,14H2,(H,27,32)(H,30,31)/t22-/m0/s1
• Isómeros SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
• PubChem CID: 51340515

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: Dinitroanilines Alpha amino acids and derivatives Nitrobenzenes Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Amino fatty acids Carbamate esters Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Dinitroaniline - Fluorene - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Amino fatty acid - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Fatty acyl - Carbamic acid ester - Amino acid or derivatives - Amino acid - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxygen compound - Organic salt - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic cation - 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

• Peso molecular: 506.500 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 506.144 Da
• Monoisotopic Mass: 506.144 Da
• Topological Polar Surface Area: 179.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 824.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1263047-22-8. InChIKey HBHWAVNNODKLBE-QFIPXVFZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.