5'-O-Dmt-2'-O-methyl-inosine , CAS No.128219-84-1

CAS: 128219-84-1 Cat. No.: O1251061 Molecular Weight: 584.62 PubChem CID: 136240754

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

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.

Names and Identifiers

• Canonical Smiles: COC1C(C(OC1N2C=NC3=C2N=CNC3=O)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
• IUPAC Name: 9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-1H-purin-6-one
• InChIKey: KXFBGUCGEWPHRA-QWOIFIOOSA-N
• INCHI: 1S/C32H32N4O7/c1-39-23-13-9-21(10-14-23)32(20-7-5-4-6-8-20,22-11-15-24(40-2)16-12-22)42-17-25-27(37)28(41-3)31(43-25)36-19-35-26-29(36)33-18-34-30(26)38/h4-16,18-19,25,27-28,31,37H,17H2,1-3H3,(H,33,34,38)/t25-,27-,28-,31-/m1/s1
• PubChem CID: 136240754
• Molecular Weight: 584.62

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 nucleosides Glycosylamines 6-oxopurines Pentoses 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 Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenyl compound - Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Pentose monosaccharide - Purinone - Benzylether - Imidazopyrimidine - Purine - Methoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Monosaccharide - N-substituted imidazole - Pyrimidine - Oxolane - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Secondary alcohol - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - 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

• Molecular Weight: 584.600 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 584.227 Da
• Monoisotopic Mass: 584.227 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 924.000
• 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