rac Tenofovir-d6 - ≥98 atom% D,≥95% , CAS No.1020719-94-1

CAS: 1020719-94-1 Cat. No.: T334649 Molecular Weight: 293.25 PubChem CID: 45040468

GRADE & PURITY ≥98 atom% D,≥95%

Synonyms

Tenofovir-d6 | ({[1-(6-amino-9H-purin-9-yl)(1,1,2,3,3,3-?H?)propan-2-yl]oxy}methyl)phosphonic acid | ({[1-(6-Amino-9H-purin-9-yl)(~2~H_6_)propan-2-yl]oxy}methyl)phosphonic acid | (Rac)-Tenofovir-d6 | DTXSID20662200 | 1020719-94-1 | rac-Tenofovir-D6 | HY-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Tenofovir-d6 is a deuterated Tenofovir which is a selective antiretroviral agent which functions as a HIV reverse transcriptase (HIV-1 RT) inhibitor.

Specifications

Synonyms

Tenofovir-d6 | ({[1-(6-amino-9H-purin-9-yl)(1, 1, 2, 3, 3, 3-?H?)propan-2-yl]oxy}methyl)phosphonic acid | ({[1-(6-Amino-9H-purin-9-yl)(~2~H_6_)propan-2-yl]oxy}methyl)phosphonic acid | (Rac)-Tenofovir-d6 | DTXSID20662200 | 1020719-94-1 | rac-Tenofovir-D6 | HY-1

Specifications & Purity

≥98 atom% D, ≥95%

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 atom% D, ≥95%

Names and Identifiers

• Pubchem Sid: 504770517
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770517
• Canonical Smiles: CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O
• IUPAC Name: [1-(6-aminopurin-9-yl)-1,1,2,3,3,3-hexadeuteriopropan-2-yl]oxymethylphosphonic acid
• InChIKey: SGOIRFVFHAKUTI-CUYPRXAISA-N
• INCHI: 1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/i1D3,2D2,6D
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])N1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O
• PubChem CID: 45040468
• Molecular Weight: 293.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Primary amines Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Azacycle - Organonitrogen compound - Organophosphorus compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• 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

• Solubility: Soluble in Warm DMSO and Warm Water
• Melt Point(°C): 258-260° C
• Molecular Weight: 293.250 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 293.116 Da
• Monoisotopic Mass: 293.116 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 354.000
• Isotope Atom Count: 6
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1