Boc-D-glutamic acid γ-benzyl ester α-N-hydroxysuccinimide ester - ≥98% , CAS No.18800-76-5

CAS: 18800-76-5 Cat. No.: B355376 Peso molecular: 434.45

GRADE & PURITY ≥98%

Synonyms

Boc-D-Glu(OBzl)-OSu

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Boc-D-Glu(OBzl)-OSu

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488199000
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)ON2C(=O)CCC2=O
• IUPAC Name: 5-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
• InChIKey: XVJBCWSNHLGDLQ-OAHLLOKOSA-N
• INCHI: 1S/C21H26N2O8/c1-21(2,3)30-20(28)22-15(19(27)31-23-16(24)10-11-17(23)25)9-12-18(26)29-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,22,28)/t15-/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@H](CCC(=O)OCC1=CC=CC=C1)C(=O)ON2C(=O)CCC2=O
• Peso molecular: 434.45
• Reaxy-Rn: 1558702
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1558702&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 Glutamic acid 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: Glutamic acid and derivatives
• Alternative Parents: Benzyloxycarbonyls Fatty acid esters Pyrrolidine-2-ones Dicarboxylic acids and derivatives Dicarboximides Carbamate esters Lactams Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Glutamic acid or derivatives - Benzyloxycarbonyl - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - Benzenoid - Fatty acyl - Carbamic acid ester - Pyrrolidine - Dicarboximide - Lactam - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid 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

• Peso molecular: 434.400 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 434.169 Da
• Monoisotopic Mass: 434.169 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 678.000
• 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