Dcfpyl - ≥99% , CAS No.1423758-00-2

CAS: 1423758-00-2 Cat. No.: D1009363 분자식: C₁₈H₂₃FN₄O₈ 분자량: 442.400

GRADE & PURITY ≥99%

Storage

Desiccated,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

사양 및 순도

≥99%

보관 조건

Desiccated,Store at -80°C

배송

Dry ice packs + Cold packs

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순수함

≥99%

이름과 식별자

• 정식 스마일: C1=CC(=NC=C1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F
• IUPAC Name: (2S)-2-[[(1S)-1-carboxy-5-[(6-fluoropyridine-3-carbonyl)amino]pentyl]carbamoylamino]pentanedioic acid
• InChIKey: OLWVRJUNLXQDSP-RYUDHWBXSA-N
• INCHI: 1S/C18H23FN4O8/c19-13-6-4-10(9-21-13)15(26)20-8-2-1-3-11(16(27)28)22-18(31)23-12(17(29)30)5-7-14(24)25/h4,6,9,11-12H,1-3,5,7-8H2,(H,20,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t11-,12-/m0/s1
• 분자량: 442.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Glutamic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Glutamic acid and derivatives
• Alternative Parents: N-carbamoyl-alpha amino acids Tricarboxylic acids and derivatives Nicotinamides 2-halopyridines Aryl fluorides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Glutamic acid or derivatives - N-carbamoyl-alpha-amino acid or derivatives - N-carbamoyl-alpha-amino acid - Tricarboxylic acid or derivatives - Pyridine carboxylic acid or derivatives - Nicotinamide - 2-halopyridine - Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Urea - Secondary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

화학 및 물리적 특성

• 분자량: 442.400 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 442.15 Da
• Monoisotopic Mass: 442.15 Da
• Topological Polar Surface Area: 195.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 662.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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