N-Fmoc-L-β-glutamic acid 5-tert-butyl ester - ≥97% , CAS No.209252-17-5

CAS: 209252-17-5 Cat. No.: F117047 Peso molecular: 425.47 Beilstein Registry Number: 7952342

GRADE & PURITY ≥97%

Synonyms

Pentanedioic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester, (3R)- | Fmoc-?-HoAsp(OtBu)-OH | A-HoAsp(OtBu)-OH | Fmoc-I(2)-HoAsp(OtBu)-OH | AKOS016843062 | Fmoc-L-beta-homoaspartic acid (OtBu) | Fmoc-L-beta-homoaspartic aci

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Product Application:

N-Fmoc-L-beta-glutamic acid 5-tert-butyl ester, is a protected building block used for the introduction of glutamic acid into peptides. Fmoc-beta-Glu(OtBu)-OH) was hydrolyzed with trifluoroacetic acid (TFA) and isolated with the HPLC system to give Fmoc-beta-Glu(OH)-OH.

Specifications

Sinónimos

Pentanedioic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 1-(1, 1-dimethylethyl) ester, (3R)- | Fmoc-?-HoAsp(OtBu)-OH | A-HoAsp(OtBu)-OH | Fmoc-I(2)-HoAsp(OtBu)-OH | AKOS016843062 | Fmoc-L-beta-homoaspartic acid (OtBu) | Fmoc-L-beta-homoaspartic aci

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Pubchem Sid: 488193227
• Sonrisas canónicas: CC(C)(C)OC(=O)CC(CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
• InChIKey: XXXSUGLINJXRGT-OAHLLOKOSA-N
• INCHI: 1S/C24H27NO6/c1-24(2,3)31-22(28)13-15(12-21(26)27)25-23(29)30-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20H,12-14H2,1-3H3,(H,25,29)(H,26,27)/t15-/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)C[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• WGK Alemania: 3
• Peso molecular: 425.47
• Beilstein: 7952342
• Reaxy-Rn: 29028973
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29028973&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Fatty acid esters Dicarboxylic acids and derivatives Carbamate esters Organic carbonic acids and derivatives Carboxylic acid esters Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

• Solubilidad: Slightly soluble in water.
• Peso molecular: 425.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 425.184 Da
• Monoisotopic Mass: 425.184 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 635.000
• 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