(4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid - ≥98% , CAS No.186046-78-6

CAS: 186046-78-6 Cat. No.: B191743 Peso molecular: 379.37

GRADE & PURITY ≥98%

Synonyms

DTXSID80573525 | (4-Benzhydryloxycarbonylamino-2-oxo-2H-pyrimidin-1-yl)-acetic acid;(4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic;2-(4-(((Benzhydryloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid | AKOS015909342 | (4-N-(Benzhydryloxycarbonyl)-cyt

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID80573525 | (4-Benzhydryloxycarbonylamino-2-oxo-2H-pyrimidin-1-yl)-acetic acid;(4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic;2-(4-(((Benzhydryloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid | AKOS015909342 | (4-N-(Benzhydryloxycarbonyl)-cyt

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC(=O)N(C=C3)CC(=O)O
• IUPAC Name: 2-[4-(benzhydryloxycarbonylamino)-2-oxopyrimidin-1-yl]acetic acid
• InChIKey: VPWKJWIKZUONJA-UHFFFAOYSA-N
• INCHI: 1S/C20H17N3O5/c24-17(25)13-23-12-11-16(21-19(23)26)22-20(27)28-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2,(H,24,25)(H,21,22,26,27)
• Isómeros SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC(=O)N(C=C3)CC(=O)O
• Peso molecular: 379.37
• Reaxy-Rn: 9650621
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9650621&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Benzyloxycarbonyls Alpha amino acids and derivatives Pyrimidones Imidolactams Hydropyrimidines Heteroaromatic compounds Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Pyrimidone - Hydropyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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: 379.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 379.117 Da
• Monoisotopic Mass: 379.117 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 630.000
• 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: 1