Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate - ≥97% , CAS No.137076-54-1

CAS: 137076-54-1 Cat. No.: T162093 Peso molecular: 572.74 Número EC: 635-059-7 PubChem CID: 11606627

GRADE & PURITY ≥97%

Synonyms

2-(4,7,10-TRIS(2-TERT-BUTOXY-2-OXOETHYL)-1,4,7,10-TETRAAZACYCLODODECAN-1-YL)ACETIC ACID | Tri-tert-Bu-DOTA | FT-0728089 | 2-(4,7,10-Tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)aceticacid | DOTA(OtBu) hydrobromide salt | 2-(4,7,10-T

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2-(4, 7, 10-TRIS(2-TERT-BUTOXY-2-OXOETHYL)-1, 4, 7, 10-TETRAAZACYCLODODECAN-1-YL)ACETIC ACID | Tri-tert-Bu-DOTA | FT-0728089 | 2-(4, 7, 10-Tris(2-(tert-butoxy)-2-oxoethyl)-1, 4, 7, 10-tetraazacyclododecan-1-yl)aceticacid | DOTA(OtBu) hydrobromide salt | 2-(4, 7, 10-T

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, 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

≥97%

Nombres e identificadores

• Pubchem Sid: 504766583
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766583
• Sonrisas canónicas: CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)O
• IUPAC Name: 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• InChIKey: RVUXZXMKYMSWOM-UHFFFAOYSA-N
• INCHI: 1S/C28H52N4O8/c1-26(2,3)38-23(35)19-30-12-10-29(18-22(33)34)11-13-31(20-24(36)39-27(4,5)6)15-17-32(16-14-30)21-25(37)40-28(7,8)9/h10-21H2,1-9H3,(H,33,34)
• Isómeros SMILES: CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)O
• WGK Alemania: 3
• PubChem CID: 11606627
• Peso molecular: 572.74
• Reaxy-Rn: 8371940

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Alpha amino acid esters Alpha amino acids Trialkylamines Carboxylic acid esters Amino acids Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Tetracarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Amino acid - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• 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 & heat sensitive
• Peso molecular: 572.700 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 14
• Exact Mass: 572.379 Da
• Monoisotopic Mass: 572.379 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 799.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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. Youli Zhang, Lulu Wang, Yanmin Zheng, Lei Zhu, Dongsheng Li, Xinwei Zheng.  (2026)  Concentration-Responsive Gd–DOTA Nanomicelles via Chain-Length Engineering for Transporter-Independent Hepatobiliary Magnetic Resonance Imaging.  LANGMUIR,      [PMID:] [10.1021/acs.langmuir.6c00777]