3-(3-Amino-3-carboxypropyl)uridine - ≥97% , CAS No.52745-94-5

CAS: 52745-94-5 Cat. No.: A1291902 PubChem CID: 171198

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CN(C(=O)N(C1=O)CCC(C(=O)O)N)C2C(C(C(O2)CO)O)O
• IUPAC Name: 2-amino-4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]butanoic acid
• InChIKey: YXNIEZJFCGTDKV-JANFQQFMSA-N
• INCHI: 1S/C13H19N3O8/c14-6(12(21)22)1-3-15-8(18)2-4-16(13(15)23)11-10(20)9(19)7(5-17)24-11/h2,4,6-7,9-11,17,19-20H,1,3,5,14H2,(H,21,22)/t6?,7-,9-,10-,11-/m1/s1
• Isómeros SMILES: C1=CN(C(=O)N(C1=O)CCC(C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
• CAS alternativo: 52745-94-5
• PubChem CID: 171198
• Términos de entrada MeSH: 3-(3-amino-3-carboxypropyl)uridine;nucleoside X

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Pyrimidine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine nucleosides
• Alternative Parents: Glycosylamines Alpha amino acids Pentoses Pyrimidones Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Secondary alcohols Amino acids Lactams Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Monoalkylamines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - Pentose monosaccharide - Pyrimidone - Hydropyrimidine - Pyrimidine - Monosaccharide - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Secondary alcohol - Urea - Lactam - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Primary aliphatic amine - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Primary alcohol - Aromatic heteromonocyclic compound
• Descripción: 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: uridines

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

Propiedades químicas y físicas

• Peso molecular: 345.310 g/mol
• XLogP3: -5.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 345.117 Da
• Monoisotopic Mass: 345.117 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 553.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1