Emtricitabine sulfoxide , CAS No.152128-77-3

CAS: 152128-77-3 Cat. No.: E1321155 Formule: C₈H₁₀FN₃O₄S Poids moléculaire: 263.25 Numéro CE: 887-004-3 PubChem CID: 10038386

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Noms et identifiants

Sourires canoniques

C1C(OC(S1=O)CO)N2C=C(C(=NC2=O)N)F

IUPAC Name

4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl]pyrimidin-2-one

InChIKey

DMOMZPWPIDCLMB-YGFFCSEESA-N

INCHI

1S/C8H10FN3O4S/c9-4-1-12(8(14)11-7(4)10)5-3-17(15)6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+,17?/m0/s1

Isomères SMILES

C1[C@H](O[C@H](S1=O)CO)N2C=C(C(=NC2=O)N)F

PubChem CID

10038386

Poids moléculaire

263.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Nucleoside and nucleotide analogues

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Nucleoside and nucleotide analogues
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Nucleoside and nucleotide analogues
• Alternative Parents: Pyrimidones Aminopyrimidines and derivatives Halopyrimidines Aryl fluorides Imidolactams Hydropyrimidines Oxathiolanes Monothioacetals Heteroaromatic compounds Sulfoxides Sulfinyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols Primary amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Monothioacetal - Oxathiolane - Sulfoxide - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 263.250 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 263.038 Da
• Monoisotopic Mass: 263.038 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 438.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Foire aux questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 152128-77-3, the molecular formula is C8H10FN3O4S, and the molecular weight is 263.25 g/mol. InChIKey DMOMZPWPIDCLMB-YGFFCSEESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.