Boc-Asp(OtBu)-OH - ≥98% , CAS No.1676-90-0

CAS: 1676-90-0 Cat. No.: B105757 Peso molecular: 289.32 Beilstein Registry Number: 2336144 Número EC: 834-856-9

GRADE & PURITY ≥98%

Synonyms

(S)-4-tert-butoxy-2-(tert-butoxycarbonylamino)-4-oxobutanoic acid | tert-Butyloxycarbonyl-L-aspartic acid 4-tert-butyl ester | (S)-2-tert-butoxycarbonylamino-succinic acid 4-tert-butyl ester | AM20090006 | STL196591 | Boc-Asp(OtBu)-OH, >=99.0% (sum of ena

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(S)-4-tert-butoxy-2-(tert-butoxycarbonylamino)-4-oxobutanoic acid | tert-Butyloxycarbonyl-L-aspartic acid 4-tert-butyl ester | (S)-2-tert-butoxycarbonylamino-succinic acid 4-tert-butyl ester | AM20090006 | STL196591 | Boc-Asp(OtBu)-OH, >=99.0% (sum of ena

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Pubchem Sid: 504764531
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764531
• Sonrisas canónicas: CC(C)(C)OC(=O)CC(C(=O)O)NC(=O)OC(C)(C)C
• IUPAC Name: (2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
• InChIKey: PHJDCONJXLIIPW-QMMMGPOBSA-N
• INCHI: 1S/C13H23NO6/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,16,17)/t8-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
• WGK Alemania: 3
• Peso molecular: 289.32
• Beilstein: 2336144
• Reaxy-Rn: 2336144
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2336144&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 Aspartic 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: Aspartic acid and derivatives
• Alternative Parents: Fatty acid esters Branched fatty acids Dicarboxylic acids and derivatives Carbamate esters Carboxylic acid esters Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aspartic acid or derivatives - Branched fatty acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic 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

• Solubilidad: Soluble in methanol and dimethyl sulfoxide.
• Sensibilidad: Heat Sensitive
• Rotación específica [α]: 2° (C=1,MeOH)
• Punto de fusión (°C): 64-67°C
• Peso molecular: 289.320 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 289.153 Da
• Monoisotopic Mass: 289.153 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 377.000
• 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

Referencias

1. Bowen Duan, Hongting Liu, Xiaoxuan Ji, Jingwen Dong, Xinping Luo, Feiran Zhang, Minjie Sun, Zhanwei Zhou.  (2024)  A bone-targeting permeable nanomicelle acting as an icebreaker for enhancing chemotherapy of osteosarcoma.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.150821]