1-Methylinosin - ≥99% , CAS No.2140-73-0

CAS: 2140-73-0 Cat. No.: M303043 Summenformel: C₁₁H₁₄N₄O₅ Molekulargewicht: 282.25

QUALITÄT & REINHEIT ≥99%

Synonyms

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one | SCHEMBL19359092 | CHEBI:19065 | UNII-C6JR3HAB96 | PD102002 | C6JR3HAB96 | inosine, 1-methyl | Inosine, 1-methyl- | m(1)i | 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)o

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

1-Methylinosin ist ein modifiziertes Nukleotid, das sich an Position 37 der tRNA 3' vor dem Anticodon der eukaryotischen tRNA befindet.

Spezifikationen

Synonyme

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one | SCHEMBL19359092 | CHEBI:19065 | UNII-C6JR3HAB96 | PD102002 | C6JR3HAB96 | inosine, 1-methyl | Inosine, 1-methyl- | m(1)i | 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)o

Spezifikationen & Reinheit

≥99%

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488183664

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183664

Kanonisches Lächeln

CN1C=NC2=C(C1=O)N=CN2C3C(C(C(O3)CO)O)O

IUPAC Name

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one

InChIKey

WJNGQIYEQLPJMN-IOSLPCCCSA-N

INCHI

1S/C11H14N4O5/c1-14-3-13-9-6(10(14)19)12-4-15(9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1

Isomere SMILES

CN1C=NC2=C(C1=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

Molekulargewicht

282.25

Reaxy-Rn

45122362

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45122362&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Klasse: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: Glycosylamines 6-oxopurines Pentoses Hypoxanthines Pyrimidones N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Pentose monosaccharide - Purinone - Imidazopyrimidine - Purine - Pyrimidone - Pyrimidine - N-substituted imidazole - Monosaccharide - Vinylogous amide - Tetrahydrofuran - Heteroaromatic compound - Azole - Imidazole - Secondary alcohol - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
• External Descriptors: inosines

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

• Löslichkeit: Chloroform (Slightly, Heated), DMSO (Slightly, Heated)
• Molekulargewicht: 282.250 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 282.096 Da
• Monoisotopic Mass: 282.096 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 433.000
• 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