5-Iodouridine - ≥97%(HPLC) , CAS No.1024-99-3

CAS: 1024-99-3 Cat. No.: I119472 Peso molecular: 370.10 Beilstein Registry Number: 33665 Número EC: 213-833-1

GRADE & PURITY ≥97%(HPLC)

Synonyms

MFCD00006532 | UNII-YZK4KVC76P | Uridine, 5-iodo- | 1-((2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL)-5-IODO-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE | 1-(3,4-DIHYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL)-5-IODOPYRIMIDINE-2,4(1H,3H)-DIONE | A8

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

MFCD00006532 | UNII-YZK4KVC76P | Uridine, 5-iodo- | 1-((2R, 3R, 4S, 5R)-3, 4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL)-5-IODO-1, 2, 3, 4-TETRAHYDROPYRIMIDINE-2, 4-DIONE | 1-(3, 4-DIHYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL)-5-IODOPYRIMIDINE-2, 4(1H, 3H)-DIONE | A8

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504760440
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760440
• Sonrisas canónicas: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)I
• IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
• InChIKey: RKSLVDIXBGWPIS-UAKXSSHOSA-N
• INCHI: 1S/C9H11IN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
• Isómeros SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)I
• WGK Alemania: 3
• Peso molecular: 370.10
• Beilstein: 33665
• Reaxy-Rn: 24878925
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24878925&ln=

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 Pentoses Pyrimidones Halopyrimidines Aryl iodides Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organoiodides Organonitrogen compounds Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Halopyrimidine - Pyrimidone - Aryl halide - Aryl iodide - Hydropyrimidine - Monosaccharide - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Lactam - Urea - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - 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: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive；Air sensitive
• Rotación específica [α]: -23.5±1°, c = 1% in H2O
• Punto de fusión (°C): 205-207°C
• Peso molecular: 370.100 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 369.966 Da
• Monoisotopic Mass: 369.966 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 414.000
• 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