Boc-D-Phe-OH - ≥99% , CAS No.18942-49-9

CAS: 18942-49-9 Cat. No.: B105768 분자식: C₁₄H₁₉NO₄ 분자량: 265.3 Beilstein Registry Number: 4695945 EC 번호: 606-177-6

GRADE & PURITY ≥99%

Synonyms

N-Boc-D-Phe | A813323 | N-Boc-D-phenylalanine | AKOS015888245 | (2R)-2-tert-butoxycarbonylamino-3-phenylpropionic acid | (2R)-2-tert-butoxycarbonylamino-3-phenyl-propionic acid | B2989 | SCHEMBL606309 | DS-13505 | N-tert-butyloxycarbonyl-D-phenylalanine |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

N-Boc-D-Phe | A813323 | N-Boc-D-phenylalanine | AKOS015888245 | (2R)-2-tert-butoxycarbonylamino-3-phenylpropionic acid | (2R)-2-tert-butoxycarbonylamino-3-phenyl-propionic acid | B2989 | SCHEMBL606309 | DS-13505 | N-tert-butyloxycarbonyl-D-phenylalanine |

사양 및 순도

≥99%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥99%

이름과 식별자

• Pubchem Sid: 488190852
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190852
• 정식 스마일: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O
• IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
• InChIKey: ZYJPUMXJBDHSIF-LLVKDONJSA-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-/m1/s1
• 이성체 SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O
• WGK 독일: 3
• 분자량: 265.3
• Beilstein: 4695945
• 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
    • 분류 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
• 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: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Heat Sensitive
• 특정 회전[α]: -25 ° (C=1, EtOH)
• 녹는점(°C): 85-88°C
• 분자량: 265.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 265.131 Da
• Monoisotopic Mass: 265.131 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 316.000
• 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