Acetyl-4-iodo-D-phenylalanine - ≥98% , CAS No.201351-59-9

CAS: 201351-59-9 Cat. No.: A354221 Molecular Weight: 333.12

GRADE & PURITY ≥98%

Synonyms

DTXSID201304069 | (R)-2-Acetamido-3-(4-iodophenyl)propanoicacid | AKOS027250992 | (2R)-2-acetamido-3-(4-iodophenyl)propanoic acid | AC-P-IODO-D-PHE-OH | D-Phenylalanine,N-acetyl-4-iodo- | Acetyl-4-iodo-D-phenylalanine | EN300-7360997 | MFCD00236759 | N-Ac

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID201304069 | (R)-2-Acetamido-3-(4-iodophenyl)propanoicacid | AKOS027250992 | (2R)-2-acetamido-3-(4-iodophenyl)propanoic acid | AC-P-IODO-D-PHE-OH | D-Phenylalanine, N-acetyl-4-iodo- | Acetyl-4-iodo-D-phenylalanine | EN300-7360997 | MFCD00236759 | N-Ac

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195908
• Canonical Smiles: CC(=O)NC(CC1=CC=C(C=C1)I)C(=O)O
• IUPAC Name: (2R)-2-acetamido-3-(4-iodophenyl)propanoic acid
• InChIKey: RTVNNJWKXVLALU-SNVBAGLBSA-N
• INCHI: 1S/C11H12INO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m1/s1
• Isomeric SMILES: CC(=O)N[C@H](CC1=CC=C(C=C1)I)C(=O)O
• Molecular Weight: 333.12
• Reaxy-Rn: 2850959
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2850959&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: N-acyl-alpha amino acids Amphetamines and derivatives Iodobenzenes Halogenated fatty acids Branched fatty acids Acetamides Vinyl iodides Monocarboxylic acids and derivatives Iodoalkenes Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Amphetamine or derivatives - Iodobenzene - Halogenated fatty acid - Halobenzene - Branched fatty acid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Acetamide - Carboxamide group - Iodoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 333.120 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 332.986 Da
• Monoisotopic Mass: 332.986 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 262.000
• 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