Boc-Phe-OH-(phenyl-d₅) - ≥98 atom% D,≥98% , CAS No.121695-40-7

CAS: 121695-40-7 Cat. No.: B464634 Summenformel: C₁₄H₁₄D₅NO₄ Molekulargewicht: 270.34

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

N-Boc-L-phenyl-d5-alanine | HY-79096S1 | AKOS030241365 | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid | (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[(2,3,4,5,6-?H?)phenyl]propanoic acid | D98724 | N-(tert-Buto

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Product Application:

N-Boc-L-phenyl-d5-alanine acts as a reagent in the synthesis of Microcystins and derivatives. 

Specifications

Synonyme

N-Boc-L-phenyl-d5-alanine | HY-79096S1 | AKOS030241365 | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid | (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[(2,3,4,5,6-?H?)phenyl]propanoic acid | D98724 | N-(tert-Buto

Spezifikationen & Reinheit

≥98 atom% D,≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom% D,≥98%

Namen und Kennungen

• Pubchem Sid: 504768258
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768258
• Kanonisches Lächeln: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O
• IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
• InChIKey: ZYJPUMXJBDHSIF-MEKJEUOKSA-N
• INCHI: 1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1/i4D,5D,6D,7D,8D
• Isomere SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)[2H])[2H]
• Molekulargewicht: 270.34
• Reaxy-Rn: 1130179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1130179&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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: Phenylpropanoic acids Amphetamines and derivatives Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
• Empfindlichkeit: Light sensitive；moisture sensitive
• Schmelzpunkt (°C): 85-87 °C (lit.)
• Molekulargewicht: 270.340 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 270.163 Da
• Monoisotopic Mass: 270.163 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 316.000
• Isotope Atom Count: 5
• 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