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

CAS: 93778-57-5 Cat. No.: D122956 Molecular Weight: 554.59 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 554.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Heat sensitive
• Molecular Weight: 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