Boc-Val-OSu - ≥98% , CAS No.3392-12-9

CAS: 3392-12-9 Cat. No.: B134929 Peso molecular: 314.33 Beilstein Registry Number: 1551859 Número EC: 222-236-5

GRADE & PURITY ≥98%

Synonyms

PP449XA4BH | YZF2E7GBG6 | Boc-Val-OSu, >=98.5% (N) | TERT-BUTOXYCARBONYLVALINE SUCCINIMIDE ESTER | 2,5-Dioxopyrrolidin-3-yl (tert-butoxycarbonyl)-L-valinate | POBDBYGSGKMZPH-NSHDSACASA-N | (S)-2,5-Dioxopyrrolidin-1-yl 2-((Boc)amino)-3-methylbutanoate | SC

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

PP449XA4BH | YZF2E7GBG6 | Boc-Val-OSu, >=98.5% (N) | TERT-BUTOXYCARBONYLVALINE SUCCINIMIDE ESTER | 2, 5-Dioxopyrrolidin-3-yl (tert-butoxycarbonyl)-L-valinate | POBDBYGSGKMZPH-NSHDSACASA-N | (S)-2, 5-Dioxopyrrolidin-1-yl 2-((Boc)amino)-3-methylbutanoate | SC

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)C(C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
• InChIKey: POBDBYGSGKMZPH-NSHDSACASA-N
• INCHI: 1S/C14H22N2O6/c1-8(2)11(15-13(20)21-14(3,4)5)12(19)22-16-9(17)6-7-10(16)18/h8,11H,6-7H2,1-5H3,(H,15,20)/t11-/m0/s1
• Isómeros SMILES: CC(C)[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
• Peso molecular: 314.33
• Beilstein: 1551859
• Reaxy-Rn: 8216287
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8216287&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Valine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Valine and derivatives
• Alternative Parents: Pyrrolidine-2-ones Dicarboximides Carbamate esters Organic carbonic acids and derivatives Lactams Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Valine or derivatives - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Carbamic acid ester - Carboxylic acid salt - Lactam - Carbonic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine 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

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive
• Punto de fusión (°C): 126 - 128 °C
• Peso molecular: 314.330 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 314.148 Da
• Monoisotopic Mass: 314.148 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 464.000
• 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