N-Ethyl valacyclovir - ≥98% , CAS No.1346747-69-0

CAS: 1346747-69-0 Cat. No.: N1317468 Formula: C₁₅H₂₄N₆O₄ Peso molecolare: 352.39 PubChem CID: 135565155

QUALITÀ & PUREZZA ≥98%

Storage

Room temperature

Shipped In

Normal

Specifiche

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CCNC(C(C)C)C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N

IUPAC Name

2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-(ethylamino)-3-methylbutanoate

InChIKey

OKUHBUGXDSIJIM-JTQLQIEISA-N

INCHI

1S/C15H24N6O4/c1-4-17-10(9(2)3)14(23)25-6-5-24-8-21-7-18-11-12(21)19-15(16)20-13(11)22/h7,9-10,17H,4-6,8H2,1-3H3,(H3,16,19,20,22)/t10-/m0/s1

Isomeri SMILES

CCN[C@@H](C(C)C)C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N

PubChem CID

135565155

Peso molecolare

352.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Valine and derivatives 6-oxopurines Hypoxanthines Pyrimidones Aminopyrimidines and derivatives Fatty acid esters N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Valine or derivatives - 6-oxopurine - Hypoxanthine - Imidazopyrimidine - Purine - Aminopyrimidine - Pyrimidone - Fatty acid ester - N-substituted imidazole - Pyrimidine - Fatty acyl - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Carboxylic acid ester - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 352.390 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 352.186 Da
• Monoisotopic Mass: 352.186 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 512.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Domande frequenti

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 1346747-69-0, the molecular formula is C15H24N6O4, and the molecular weight is 352.39 g/mol. InChIKey OKUHBUGXDSIJIM-JTQLQIEISA-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.