Boc-Orn(Alloc)-OH - ≥97% , CAS No.171820-74-9

CAS: 171820-74-9 Cat. No.: N131928 Formula: C₁₄H₂₄N₂O₆ Molecular Weight: 316.35 PubChem CID: 2755961

GRADE & PURITY ≥97%

Synonyms

Boc-Orn(Alloc)-OH|171820-74-9|BOC-ORN(ALOC)-OH|(S)-5-(((Allyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)pentanoic acid|(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(prop-2-enoxycarbonylamino)pentanoic acid|(2S)-2-{[(tert-butoxy)carbonyl]amino}-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Boc-Orn(Alloc)-OH | 171820-74-9 | BOC-ORN(ALOC)-OH | (S)-5-(((Allyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)pentanoic acid | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(prop-2-enoxycarbonylamino)pentanoic acid | (2S)-2-{[(tert-butoxy)carbonyl]amino}-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488192980
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192980
• Canonical Smiles: CC(C)(C)OC(=O)NC(CCCNC(=O)OCC=C)C(=O)O
• IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(prop-2-enoxycarbonylamino)pentanoic acid
• InChIKey: OSIUYHBPBBOKMJ-JTQLQIEISA-N
• INCHI: 1S/C14H24N2O6/c1-5-9-21-12(19)15-8-6-7-10(11(17)18)16-13(20)22-14(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,15,19)(H,16,20)(H,17,18)/t10-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCC=C)C(=O)O
• WGK Germany: 3
• PubChem CID: 2755961
• Molecular Weight: 316.35

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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Branched fatty acids 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: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Branched fatty acid - Fatty acyl - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 316.350 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 316.163 Da
• Monoisotopic Mass: 316.163 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 403.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% 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 171820-74-9, the molecular formula is C14H24N2O6, and the molecular weight is 316.35 g/mol. InChIKey OSIUYHBPBBOKMJ-JTQLQIEISA-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.