Boc-d-cit-oh - ≥95% , CAS No.121080-95-3

CAS: 121080-95-3 Cat. No.: B180134 Formula: C₁₁H₂₁N₃O₅ Peso molecolare: 275.3

GRADE & PURITY ≥95%

Synonyms

Boc-D-Orn(CONH2)-OH | (2R)-5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid | (R)-2-(tert-butoxycarbonylamino)-5-ureidopentanoic acid | Boc-D-Cit-OH | (R)-2-((tert-Butoxycarbonyl)amino)-5-ureidopentanoic acid | DS-7890 | MFCD0015

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Boc-D-Orn(CONH2)-OH | (2R)-5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid | (R)-2-(tert-butoxycarbonylamino)-5-ureidopentanoic acid | Boc-D-Cit-OH | (R)-2-((tert-Butoxycarbonyl)amino)-5-ureidopentanoic acid | DS-7890 | MFCD0015

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CC(C)(C)OC(=O)NC(CCCNC(=O)N)C(=O)O
• IUPAC Name: (2R)-5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
• InChIKey: CMJCWQISQGNHHI-SSDOTTSWSA-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-/m1/s1
• Isomeri SMILES: CC(C)(C)OC(=O)N[C@H](CCCNC(=O)N)C(=O)O
• Peso molecolare: 275.3
• 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
    • Classe 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
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 121080-95-3, the molecular formula is C11H21N3O5, and the molecular weight is 275.3 g/mol. InChIKey CMJCWQISQGNHHI-SSDOTTSWSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.