Troxacitabine - ≥99% , CAS No.145918-75-8

CAS: 145918-75-8 Cat. No.: T1070109 Formule: C₈H₁₁N₃O₄ Poids moléculaire: 213.19 PubChem CID: 454194

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

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

Pureté

≥99%

Propriétés du produit

• ALogP: -1.7

Noms et identifiants

• Sourires canoniques: C1C(OC(O1)CO)N2C=CC(=NC2=O)N
• IUPAC Name: 4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
• InChIKey: RXRGZNYSEHTMHC-BQBZGAKWSA-N
• INCHI: 1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
• Isomères SMILES: C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N
• CAS alternatif: 145918-75-8
• PubChem CID: 454194
• Termes d'entrée MeSH: (2S-cis)-4-amino-1-(2-(hydroxymethyl)-1,3-dioxolan-4-yl)-2(1H)-pyrimidinone;1-(2-(hydroxymethyl)-1,3-dioxolan-4-yl)cytosine;2R(-)-cis-HMD-cytosine;2R(-)-trans-HMD-cytosine;2S(-)-cis-HMD-cytosine;BCH 4556;BCH-4556;beta-L-dioxolane-cytidine;HMD-cytosine;tro
• Poids moléculaire: 213.19

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 Imidolactams Hydropyrimidines Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Azacyclic compounds Acetals Primary amines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Imidolactam - Meta-dioxolane - Heteroaromatic compound - Acetal - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxide - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - 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: 213.190 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 213.075 Da
• Monoisotopic Mass: 213.075 Da
• Topological Polar Surface Area: 97.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 328.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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