Gadoversetamide - 10mM in Water , CAS No.131069-91-5

CAS: 131069-91-5 Cat. No.: G421205 Formule: C₂₀H₃₄GdN₅O₁₀ Poids moléculaire: 661.76

GRADE & PURITY 10mM in Water

Synonyms

Gadoversetamida | GADOVERSETAMIDE [VANDF] | Gadoversetamid | GADOVERSETAMIDE [ORANGE BOOK] | (Gadoversetamide) (8,11-bis(carboxymethyl)-14-(2-((2-methoxyethyl)amino)-2-oxoethyl)-6-oxo-2-oxa-5,8,11,14-tetraazahexadecan-16-oato(3-)), gadolinium | Gadoverset

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

N/A

Specifications

Synonymes

Gadoversetamida | GADOVERSETAMIDE [VANDF] | Gadoversetamid | GADOVERSETAMIDE [ORANGE BOOK] | (Gadoversetamide) (8,11-bis(carboxymethyl)-14-(2-((2-methoxyethyl)amino)-2-oxoethyl)-6-oxo-2-oxa-5,8,11,14-tetraazahexadecan-16-oato(3-)), gadolinium | Gadoverset

Spécifications et pureté

10mM in Water

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Sourires canoniques: COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
• IUPAC Name: 2-[bis[2-[carboxylatomethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+)
• InChIKey: HBEAOBRDTOXWRZ-UHFFFAOYSA-K
• INCHI: 1S/C20H37N5O10.Gd/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2;/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33);/q;+3/p-3
• Isomères SMILES: COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
• Poids moléculaire: 661.76
• Reaxy-Rn: 11736544
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11736544&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Alpha amino acids Tricarboxylic acids and derivatives Trialkylamines Secondary carboxylic acid amides Carboxylic acid salts Amino acids Dialkyl ethers Carboxylic acids Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid amide - Alpha-amino acid - Tricarboxylic acid or derivatives - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Amino acid - Ether - Dialkyl ether - Carboxylic acid - Carbonyl group - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• External Descriptors: gadolinium coordination entity

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

Propriétés chimiques et physiques

• Poids moléculaire: 661.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 19
• Exact Mass: 662.155 Da
• Monoisotopic Mass: 662.155 Da
• Topological Polar Surface Area: 207.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 614.000
• 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: 2

XLogP3

Foire aux questions

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 131069-91-5, the molecular formula is C20H34GdN5O10, and the molecular weight is 661.76 g/mol. InChIKey HBEAOBRDTOXWRZ-UHFFFAOYSA-K.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.