(S)-3-(Boc-amino)-5-hexenoic acid - ≥95% , CAS No.270263-03-1

CAS: 270263-03-1 Cat. No.: I133094 Peso molecular: 229.27 Beilstein Registry Number: 9127734 Número EC: 635-768-1 PubChem CID: 2761691

GRADE & PURITY ≥95%

Synonyms

(3S)-3-[(tert-butoxycarbonyl)amino]hex-5-enoic acid | (3S)-3-{[(tert-butoxy)carbonyl]amino}hex-5-enoic acid | MFCD01861087 | AKOS015948929 | A818854 | RFHPQLCVYMBPRF-QMMMGPOBSA-N | EN300-7321918 | AC-22131 | (S)-3-((tert-Butoxycarbonyl)amino)hex-5-enoicac

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(3S)-3-[(tert-butoxycarbonyl)amino]hex-5-enoic acid | (3S)-3-{[(tert-butoxy)carbonyl]amino}hex-5-enoic acid | MFCD01861087 | AKOS015948929 | A818854 | RFHPQLCVYMBPRF-QMMMGPOBSA-N | EN300-7321918 | AC-22131 | (S)-3-((tert-Butoxycarbonyl)amino)hex-5-enoicac

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488193252
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CC=C)CC(=O)O
• IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
• InChIKey: RFHPQLCVYMBPRF-QMMMGPOBSA-N
• INCHI: 1S/C11H19NO4/c1-5-6-8(7-9(13)14)12-10(15)16-11(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](CC=C)CC(=O)O
• WGK Alemania: 3
• PubChem CID: 2761691
• Peso molecular: 229.27
• Beilstein: 9127734

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Branched fatty acids Amino fatty acids Unsaturated 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: Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Unsaturated fatty acid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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

Propiedades químicas y físicas

• Peso molecular: 229.270 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 229.131 Da
• Monoisotopic Mass: 229.131 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 268.000
• 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