5′-Iodo-5′-deoxyadenosine - ≥95% , CAS No.4099-81-4

CAS: 4099-81-4 Cat. No.: I170220 Formula: C₁₀H₁₂IN₅O₃ Peso molecolare: 377.14

GRADE & PURITY ≥95%

Synonyms

BS-42409 | SCHEMBL538530 | 5'-Iodo-5'-deoxy Adenosine | 5'-iodo-5'-deoxyadenosine | 2TNH37AEUR | 5'-Iodoadenosine | EINECS 223-864-2 | (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(iodomethyl)oxolane-3,4-diol | MFCD00005747 | BDBM82045 | 5'-Deoxy-5'-iodoado | AK

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

BS-42409 | SCHEMBL538530 | 5'-Iodo-5'-deoxy Adenosine | 5'-iodo-5'-deoxyadenosine | 2TNH37AEUR | 5'-Iodoadenosine | EINECS 223-864-2 | (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(iodomethyl)oxolane-3,4-diol | MFCD00005747 | BDBM82045 | 5'-Deoxy-5'-iodoado | AK

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504756619

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756619

Sorrisi canonici

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CI)O)O)N

IUPAC Name

(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(iodomethyl)oxolane-3,4-diol

InChIKey

FUWWLIOFNXNKQR-KQYNXXCUSA-N

INCHI

1S/C10H12IN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1

Isomeri SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CI)O)O)N

Peso molecolare

377.14

Reaxy-Rn

25985402

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25985402&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe 5'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: 5'-deoxyribonucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 5'-deoxyribonucleosides
• Alternative Parents: Glycosylamines Pentoses 6-aminopurines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Alkyl iodides Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5'-deoxyribonucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Oxacycle - Azacycle - Organooxygen compound - Organohalogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organoiodide - Organic oxygen compound - Amine - Alkyl iodide - Organonitrogen compound - Primary amine - Alkyl halide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 377.140 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 376.998 Da
• Monoisotopic Mass: 376.998 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 338.000
• 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