5-Iodocytidine - ≥98% , CAS No.1147-23-5

CAS: 1147-23-5 Cat. No.: I122936 Summenformel: C₉H₁₂IN₃O₅ Molekulargewicht: 369.11

GRADE & PURITY ≥98%

Synonyms

4-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one | C9H12IN3O5 | 4-Imino-5-iodo-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol | LQQGJDJXUSAEMZ-UAKXSSHOSA-N | DS-14589 | AMY22101 | SCHEMBL770112 | Cytidine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one | C9H12IN3O5 | 4-Imino-5-iodo-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol | LQQGJDJXUSAEMZ-UAKXSSHOSA-N | DS-14589 | AMY22101 | SCHEMBL770112 | Cytidine

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504757443

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757443

Kanonisches Lächeln

C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)I

IUPAC Name

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one

InChIKey

LQQGJDJXUSAEMZ-UAKXSSHOSA-N

INCHI

1S/C9H12IN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1

Isomere SMILES

C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)I

Molekulargewicht

369.11

Reaxy-Rn

25443342

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25443342&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Klasse: Pyrimidine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine nucleosides
• Alternative Parents: Glycosylamines Pentoses Pyrimidones Halopyrimidines Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Aryl iodides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - N-glycosyl compound - Glycosyl compound - Pentose monosaccharide - Pyrimidone - Halopyrimidine - Aminopyrimidine - Imidolactam - Pyrimidine - Monosaccharide - Hydropyrimidine - Aryl iodide - Aryl halide - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light Sensitive
• Molekulargewicht: 369.110 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 368.982 Da
• Monoisotopic Mass: 368.982 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 426.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1147-23-5, the molecular formula is C9H12IN3O5, and the molecular weight is 369.11 g/mol. InChIKey LQQGJDJXUSAEMZ-UAKXSSHOSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.