Acyclovir sodium - ≥98% , Human herpesvirus 1 DNA polymerase inhibitor, CAS No.69657-51-8, Human herpesvirus 1 DNA polymerase inhibitor

CAS: 69657-51-8 Cat. No.: A335770 Summenformel: C₈H₁₁N₅NaO₃ Molekulargewicht: 248.19 EG-Nummer: 614-996-5

GRADE & PURITY ≥98%

Synonyms

6H-Purin-6-one, 2-amino-1,9-dihydro-9-((2-hydroxyethoxy)methyl)-, monosodium salt | BW 248U sodium | O12074 | MFCD01694138 | 9-((2-Hydroxyethoxy)methyl)guanine monosodium salt | Sodium 2-((4-(ethyl(3-sulfonatobenzyl)amino)phenyl)(4-(ethyl(3-sulfonatobenzy

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

6H-Purin-6-one, 2-amino-1,9-dihydro-9-((2-hydroxyethoxy)methyl)-, monosodium salt | BW 248U sodium | O12074 | MFCD01694138 | 9-((2-Hydroxyethoxy)methyl)guanine monosodium salt | Sodium 2-((4-(ethyl(3-sulfonatobenzyl)amino)phenyl)(4-(ethyl(3-sulfonatobenzy

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Human herpesvirus 1 DNA polymerase inhibitor

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528776306
• Kanonisches Lächeln: C1=NC2=C(N1COCCO)N=C(N=C2[O-])N.[Na+]
• IUPAC Name: sodium;2-amino-9-(2-hydroxyethoxymethyl)purin-6-olate
• InChIKey: RMLUKZWYIKEASN-UHFFFAOYSA-M
• INCHI: 1S/C8H11N5O3.Na/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;/h3,14H,1-2,4H2,(H3,9,11,12,15);/q;+1/p-1
• Isomere SMILES: C1=NC2=C(N1COCCO)N=C(N=C2[O-])N.[Na+]
• Molekulargewicht: 248.19
• Reaxy-Rn: 6461221
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6461221&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Imidazopyrimidines
      • Subclass Purines and purine derivatives
        • Ebene5 Purinones
          • Ebene6 Hypoxanthines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Purinones
• Direct Parent: Hypoxanthines
• Alternative Parents: Aminopyrimidines and derivatives N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hypoxanthine - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organic alkali metal salt - Organic zwitterion - Amine - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic sodium salt - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (miscible), DMSO, dilute mineral acids, and dilute alkalies.
• Brechungsindex: n20D1.76 ± 0.05 (Predicted)
• Siedepunkt (°C): 613.1° C at 760 mmHg
• Molekulargewicht: 247.190 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 247.068 Da
• Monoisotopic Mass: 247.068 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 237.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3