Fmoc-Lys(Dnp)-OH - ≥98% , CAS No.148083-64-1

CAS: 148083-64-1 Cat. No.: F116835 Molecular Weight: 534.5 PubChem CID: 44593781

GRADE & PURITY ≥98%

Synonyms

N^e-2,4-Dinitrophenyl-N^a-Fmoc-L-lysine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

N^e-2, 4-Dinitrophenyl-N^a-Fmoc-L-lysine

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201013
• Canonical Smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCCNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
• IUPAC Name: (2S)-6-(2,4-dinitroanilino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
• InChIKey: OENCMORJQAUAAJ-DEOSSOPVSA-N
• INCHI: 1S/C27H26N4O8/c32-26(33)24(11-5-6-14-28-23-13-12-17(30(35)36)15-25(23)31(37)38)29-27(34)39-16-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,12-13,15,22,24,28H,5-6,11,14,16H2,(H,29,34)(H,32,33)/t24-/m0/s1
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCCNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
• PubChem CID: 44593781
• Molecular Weight: 534.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Dinitroanilines Alpha amino acids and derivatives Nitrobenzenes Nitro fatty acids Phenylalkylamines Nitroaromatic compounds Medium-chain fatty acids 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: Fluorene - Dinitroaniline - Alpha-amino acid or derivatives - Nitro fatty acid - Nitrobenzene - Nitroaromatic compound - Medium-chain fatty acid - Aniline or substituted anilines - Phenylalkylamine - Amino fatty acid - Secondary aliphatic/aromatic amine - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Carbamic acid ester - Amino acid or derivatives - Organic nitro compound - Amino acid - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organic salt - Organic cation - Aromatic homopolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 534.500 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 534.175 Da
• Monoisotopic Mass: 534.175 Da
• Topological Polar Surface Area: 179.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 855.000
• 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