N6-Succinyl Adenosine - ≥99% , CAS No.4542-23-8

CAS: 4542-23-8 Cat. No.: N1255437 PubChem CID: 165243

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥99%

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

≥99%

Names and Identifiers

• Canonical Smiles: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NC(CC(=O)O)C(=O)O
• IUPAC Name: (2S)-2-[[9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
• InChIKey: VKGZCEJTCKHMRL-MDBUBQOGSA-N
• INCHI: 1S/C14H17N5O8/c20-2-6-9(23)10(24)13(27-6)19-4-17-8-11(15-3-16-12(8)19)18-5(14(25)26)1-7(21)22/h3-6,9-10,13,20,23-24H,1-2H2,(H,21,22)(H,25,26)(H,15,16,18)/t5-,6+,9+,10+,13-/m0/s1
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N[C@@H](CC(=O)O)C(=O)O
• Alternate CAS: 4542-23-8
• PubChem CID: 165243
• MeSH Entry Terms: succinyladenosine

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: Aspartic acid and derivatives 6-alkylaminopurines Glycosylamines Pentoses L-alpha-amino acids Secondary alkylarylamines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Dicarboxylic acids and derivatives Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Amino acids Oxacyclic compounds Azacyclic compounds Carboxylic acids Primary alcohols Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Aspartic acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-alkylaminopurine - 6-aminopurine - Alpha-amino acid or derivatives - Pentose monosaccharide - L-alpha-amino acid - Imidazopyrimidine - Purine - Aminopyrimidine - Secondary aliphatic/aromatic amine - N-substituted imidazole - Monosaccharide - Pyrimidine - Dicarboxylic acid or derivatives - Imidolactam - Heteroaromatic compound - Imidazole - Tetrahydrofuran - Azole - Amino acid or derivatives - Secondary alcohol - Amino acid - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen 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: 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

Chemical and Physical Properties

• Molecular Weight: 383.310 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 383.108 Da
• Monoisotopic Mass: 383.108 Da
• Topological Polar Surface Area: 200.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 568.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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