2'-Deoxy-5'-O-DMT-inosine - ≥98% , CAS No.93778-57-5

CAS: 93778-57-5 Cat. No.: D122956 Peso molecular: 554.59 Número EC: 298-195-2 PubChem CID: 136192437

GRADE & PURITY ≥98%

Synonyms

AS-49384 | AC-32199 | MFCD00057879 | AKOS037644237 | EINECS 298-195-2 | DMT-dI | 5'-O-(4,4'-Dimethoxytrityl)-2'-deoxyinosine | SCHEMBL18486353 | HY-W010744 | 5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-2'-deoxyinosine | HG1196 | 2'-Deoxy-5'-O-DMT-inosine | PD

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AS-49384 | AC-32199 | MFCD00057879 | AKOS037644237 | EINECS 298-195-2 | DMT-dI | 5'-O-(4, 4'-Dimethoxytrityl)-2'-deoxyinosine | SCHEMBL18486353 | HY-W010744 | 5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-2'-deoxyinosine | HG1196 | 2'-Deoxy-5'-O-DMT-inosine | PD

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C5N=CNC6=O)O
• IUPAC Name: 9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one
• InChIKey: IYNGMVFRUKBGNM-OYUWMTPXSA-N
• INCHI: 1S/C31H30N4O6/c1-38-23-12-8-21(9-13-23)31(20-6-4-3-5-7-20,22-10-14-24(39-2)15-11-22)40-17-26-25(36)16-27(41-26)35-19-34-28-29(35)32-18-33-30(28)37/h3-15,18-19,25-27,36H,16-17H2,1-2H3,(H,32,33,37)/t25-,26+,27+/m0/s1
• Isómeros SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C5N=CNC6=O)O
• PubChem CID: 136192437
• Peso molecular: 554.59

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 Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyrimidones N-substituted imidazoles Heteroaromatic compounds Oxolanes Vinylogous amides Secondary alcohols Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenyl compound - Purine 2'-deoxyribonucleoside - Purine nucleoside - 6-oxopurine - Hypoxanthine - Purinone - Benzylether - Imidazopyrimidine - Purine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Pyrimidone - Alkyl aryl ether - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Oxolane - Vinylogous amide - Azole - Imidazole - Secondary alcohol - Azacycle - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - 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

• Sensibilidad: Heat sensitive
• Peso molecular: 554.600 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 554.217 Da
• Monoisotopic Mass: 554.217 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 875.000
• 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