3',5'-TIPS-N-Ac-Cytidine - ≥95% , CAS No.85335-73-5

CAS: 85335-73-5 Cat. No.: T1281541 Peso molecular: 527.8 PubChem CID: 13831524

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)[Si]1(OCC2C(C(C(O2)N3C=CC(=NC3=O)NC(=O)C)O)O[Si](O1)(C(C)C)C(C)C)C(C)C
• IUPAC Name: N-[1-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide
• InChIKey: DQGHXFWTOQROJQ-ZHHKINOHSA-N
• INCHI: 1S/C23H41N3O7Si2/c1-13(2)34(14(3)4)30-12-18-21(32-35(33-34,15(5)6)16(7)8)20(28)22(31-18)26-11-10-19(24-17(9)27)25-23(26)29/h10-11,13-16,18,20-22,28H,12H2,1-9H3,(H,24,25,27,29)/t18-,20-,21-,22-/m1/s1
• Isómeros SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)NC(=O)C)O)O[Si](O1)(C(C)C)C(C)C)C(C)C
• PubChem CID: 13831524
• Peso molecular: 527.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Glycosylamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Glycosylamines
• Alternative Parents: N-acetylarylamines Pyrimidones Hydropyrimidines Imidolactams Monosaccharides Oxolanes Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Azacyclic compounds Organoheterosilanes Organic metalloid salts Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-glycosyl compound - N-acetylarylamine - N-arylamide - Pyrimidone - Hydropyrimidine - Monosaccharide - Pyrimidine - Imidolactam - Oxolane - Heteroaromatic compound - Acetamide - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Oxacycle - Organoheterosilane - Carboxylic acid derivative - Organic metalloid salt - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Organic oxide - Organic nitrogen compound - Alcohol - Organosilicon compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as glycosylamines. These are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
• 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

Propiedades químicas y físicas

• Peso molecular: 527.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 527.248 Da
• Monoisotopic Mass: 527.248 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 861.000
• 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

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