N,N-Dimethylcytidine - ≥95% , CAS No.13007-43-7

CAS: 13007-43-7 Cat. No.: N993261 Molecular Weight: 271.27 PubChem CID: 53835084

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CN(C)C1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O
• IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(dimethylamino)pyrimidin-2-one
• InChIKey: GFCDNWCHLZESES-PEBGCTIMSA-N
• INCHI: 1S/C11H17N3O5/c1-13(2)7-3-4-14(11(18)12-7)10-9(17)8(16)6(5-15)19-10/h3-4,6,8-10,15-17H,5H2,1-2H3/t6-,8-,9-,10-/m1/s1
• Isomeric SMILES: CN(C)C1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
• PubChem CID: 53835084
• Molecular Weight: 271.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Pyrimidine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine nucleosides
• Alternative Parents: Glycosylamines Pentoses Dialkylarylamines Aminopyrimidines and derivatives Pyrimidones Hydropyrimidines Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Primary alcohols Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Dialkylarylamine - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Monosaccharide - Pyrimidine - Imidolactam - Heteroaromatic compound - Oxolane - Secondary alcohol - Azacycle - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidine nucleosides. These are compounds comprising a pyrimidine 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: 271.270 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 271.117 Da
• Monoisotopic Mass: 271.117 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 423.000
• 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: 1