Remdesivir nucleoside monophosphate - ≥99% , CAS No.1911578-74-9

CAS: 1911578-74-9 Cat. No.: R646243 Molecular Weight: 371.24 PubChem CID: 121310009

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Remdesivir nucleoside monophosphate is a metabolite of Remdesivir. Remdesivir is a nucleoside analogue with effective antiviral activity against SARS-CoV and MERS-CoV .

Form:Solid

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Remdesivir nucleoside monophosphate is a metabolite of Remdesivir. Remdesivir is a nucleoside analogue with effective antiviral activity against SARS-CoV and MERS-CoV.

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

≥99%

Names and Identifiers

• Canonical Smiles: C1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)COP(=O)(O)O)O)O)C#N)N
• IUPAC Name: [(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
• InChIKey: ZBHOHJWLOOFLMW-LTGWCKQJSA-N
• INCHI: 1S/C12H14N5O7P/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(24-12)3-23-25(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1
• PubChem CID: 121310009
• MeSH Entry Terms: GS 441524 monophosphate;GS-441524 monophosphate;GS-441524-MP;GS441524 monophosphate;remdesivir monophosphate
• Molecular Weight: 371.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 C-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: C-glycosyl compounds
• Alternative Parents: Pentoses Pyrrolo[2,1-f][1,2,4]triazines Monoalkyl phosphates Substituted pyrroles Imidolactams 1,2,4-triazines Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: C-glycosyl compound - Pentose monosaccharide - Pyrrolo[2,1-f][1,2,4]triazine - Monoalkyl phosphate - 1,2,4-triazine - Imidolactam - Alkyl phosphate - Triazine - Substituted pyrrole - Phosphoric acid ester - Organic phosphoric acid derivative - Monosaccharide - Heteroaromatic compound - Tetrahydrofuran - Pyrrole - Secondary alcohol - 1,2-diol - Oxacycle - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Ether - Dialkyl ether - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
• 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: DMSO : 25 mg/mL (67.34 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 371.240 g/mol
• XLogP3: -3.100
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 371.063 Da
• Monoisotopic Mass: 371.063 Da
• Topological Polar Surface Area: 196.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 610.000
• 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