N2-Isobutyryl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyguanosine - ≥99% , CAS No.68892-41-1

CAS: 68892-41-1 Cat. No.: I119519 Peso molecular: 639.7 Beilstein Registry Number: 3582365 Número EC: 272-615-4

GRADE & PURITY ≥99%

Synonyms

5'-O-DMT-N2-ibu-dG | iBu-DMT-dG | 5'-O-Dimethoxytrityl-N-isobutyryl-deoxyguanosine | Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-(2-methyl-1-oxopropyl)- | 5'-O-(4,4'-Dimethoxytrityl)-N2-isobutyryl-2'-deoxyguanosine

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

5'-O-DMT-N2-ibu-dG | iBu-DMT-dG | 5'-O-Dimethoxytrityl-N-isobutyryl-deoxyguanosine | Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-(2-methyl-1-oxopropyl)- | 5'-O-(4, 4'-Dimethoxytrityl)-N2-isobutyryl-2'-deoxyguanosine

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504773329
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773329
• Sonrisas canónicas: CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
• IUPAC Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
• InChIKey: RMQXDNUKLIDXOS-ZGIBFIJWSA-N
• INCHI: 1S/C35H37N5O7/c1-21(2)32(42)38-34-37-31-30(33(43)39-34)36-20-40(31)29-18-27(41)28(47-29)19-46-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H2,37,38,39,42,43)/t27-,28+,29+/m0/s1
• Isómeros SMILES: CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
• WGK Alemania: 3
• Peso molecular: 639.7
• Beilstein: 3582365
• Reaxy-Rn: 50763797
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50763797&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Purine 2'-deoxyribonucleosides 6-oxopurines Hypoxanthines Benzylethers Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Tetrahydrofurans Secondary carboxylic acid amides Secondary alcohols Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenyl compound - Purine 2'-deoxyribonucleoside - Purine nucleoside - 6-oxopurine - Hypoxanthine - Benzylether - Imidazopyrimidine - Purine - Anisole - Phenoxy compound - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Tetrahydrofuran - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Ether - Azacycle - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Alcohol - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Hygroscopic
• Rotación específica [α]: +8.0 to +9.5°(C=1, methanol)
• Punto de fusión (°C): -150°C
• Peso molecular: 639.700 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 639.269 Da
• Monoisotopic Mass: 639.269 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1080.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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