N6-Carbamoylthreonyladenosine sodium salt - ≥98% , CAS No.24719-82-2 free acid

CAS: 24719-82-2 free acid Cat. No.: N350074 Molecular Weight: 434.34

GRADE & PURITY ≥98%

Synonyms

CHEBI:21440 | L-Threonine, N-(((9-beta-D-ribofuranosyl-9H-purin-6-yl)amino)carbonyl)- | (2S,3R)-2-(3-(9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)ureido)-3-hydroxybutanoic acid | n6-(n-threonylcarbonyl)adenosine | S

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

N6-Carbamoylthreonyladenosine sodium salt is a nucleoside with an anticodon-adjacent base present in transfer ribonucleic acid.

Specifications

Synonyms

CHEBI:21440 | L-Threonine, N-(((9-beta-D-ribofuranosyl-9H-purin-6-yl)amino)carbonyl)- | (2S, 3R)-2-(3-(9-((2R, 3R, 4S, 5R)-3, 4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)ureido)-3-hydroxybutanoic acid | n6-(n-threonylcarbonyl)adenosine | S

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757509
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757509
• Canonical Smiles: CC(C(C(=O)O)NC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)O
• IUPAC Name: (2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid
• InChIKey: UNUYMBPXEFMLNW-DWVDDHQFSA-N
• INCHI: 1S/C15H20N6O8/c1-5(23)7(14(26)27)19-15(28)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)29-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,26,27)(H2,16,17,19,20,28)/t5-,6-,7+,9-,10-,13-/m1/s1
• Isomeric SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O
• Molecular Weight: 434.34
• Reaxy-Rn: 1234589
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1234589&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Purine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: N-carbamoyl-alpha amino acids Glycosylamines Purines and purine derivatives Beta hydroxy acids and derivatives Sugar acids and derivatives Imidolactams Pyrimidines and pyrimidine derivatives Monosaccharides N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Ureas Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organopnictogen compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - N-carbamoyl-alpha-amino acid or derivatives - N-carbamoyl-alpha-amino acid - Glycosyl compound - N-glycosyl compound - Alpha-amino acid or derivatives - Purine - Imidazopyrimidine - Beta-hydroxy acid - Sugar acid - N-substituted imidazole - Hydroxy acid - Pyrimidine - Imidolactam - Monosaccharide - Imidazole - Azole - Tetrahydrofuran - Heteroaromatic compound - Urea - Secondary alcohol - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Primary alcohol - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
• External Descriptors: L-threonine derivative - N-(adenosin-N(6)-ylcarbonyl)threonine

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

Chemical and Physical Properties

• Solubility: Soluble in water.
• Molecular Weight: 412.350 g/mol
• XLogP3: -2.600
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 412.134 Da
• Monoisotopic Mass: 412.134 Da
• Topological Polar Surface Area: 212.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 613.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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