Boc-Cit-OH - technical grade, ≥84% , CAS No.45234-13-7

CAS: 45234-13-7 Cat. No.: B134977 분자식: C₁₁H₂₁N₃O₅ 분자량: 275.3 Beilstein Registry Number: 6335956 EC 번호: 625-672-8

GRADE & PURITY Technical grade

Synonyms

boc-citrulline | (S)-2-((tert-Butoxycarbonyl)amino)-5-ureidopentanoicacid | AMY22131 | EN300-6476848 | AS-49936 | (S)-2-((tert-Butoxycarbonyl)amino)-5-ureidopentanoic acid | O10199 | Boc-Cit-OH, technical, >=84% (T) | Boc-Orn(carbamoyl)-OH | (2S)-2-{[(ter

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

boc-citrulline | (S)-2-((tert-Butoxycarbonyl)amino)-5-ureidopentanoicacid | AMY22131 | EN300-6476848 | AS-49936 | (S)-2-((tert-Butoxycarbonyl)amino)-5-ureidopentanoic acid | O10199 | Boc-Cit-OH, technical, >=84% (T) | Boc-Orn(carbamoyl)-OH | (2S)-2-{[(ter

사양 및 순도

technical grade, ≥84%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

기술 등급

이름과 식별자

• Pubchem Sid: 508810335
• 정식 스마일: CC(C)(C)OC(=O)NC(CCCNC(=O)N)C(=O)O
• IUPAC Name: (2S)-5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
• InChIKey: CMJCWQISQGNHHI-ZETCQYMHSA-N
• INCHI: 1S/C11H21N3O5/c1-11(2,3)19-10(18)14-7(8(15)16)5-4-6-13-9(12)17/h7H,4-6H2,1-3H3,(H,14,18)(H,15,16)(H3,12,13,17)/t7-/m0/s1
• 이성체 SMILES: CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)N)C(=O)O
• WGK 독일: 3
• 분자량: 275.3
• Beilstein: 6335956
• Reaxy-Rn: 45750621
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45750621&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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Branched fatty acids Carbamate esters Ureas Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Branched fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Urea - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

• 용해성: Soluble in DMSO
• 감도: Hygroscopic
• 분자량: 275.300 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 275.148 Da
• Monoisotopic Mass: 275.148 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 338.000
• 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