Adenosine 5'-monophosphoramidate sodium salt , CAS No.102029-68-5

CAS: 102029-68-5 Cat. No.: A1304378 Molecular Weight: 368.22 PubChem CID: 23679049

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(N)[O-])O)O)N.[Na+]
• IUPAC Name: sodium;amino-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate
• InChIKey: ALRHXZAMLVPXPL-MCDZGGTQSA-M
• INCHI: 1S/C10H15N6O6P.Na/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20;/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H3,12,19,20);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)[O-])O)O)N.[Na+]
• PubChem CID: 23679049
• Molecular Weight: 368.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Glycosylamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Glycosylamines
• Alternative Parents: 6-aminopurines Pentoses Aminopyrimidines and derivatives Phosphoric monoester monoamides Phosphate esters Imidolactams N-substituted imidazoles Heteroaromatic compounds Oxolanes Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines Organic sodium salts Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Phosphoric monoester monoamide - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Organic phosphoric acid amide - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Oxolane - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Oxacycle - Organic alkali metal salt - Azacycle - Organic sodium salt - Organonitrogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Primary amine - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as glycosylamines. These are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
• 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: 368.220 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 368.061 Da
• Monoisotopic Mass: 368.061 Da
• Topological Polar Surface Area: 195.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 493.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

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