Faicar , CAS No.13018-54-7

CAS: 13018-54-7 Cat. No.: F1336670 Molecular Weight: 366.22 PubChem CID: 166760

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)NC=O)C(=O)N
• IUPAC Name: [(2R,3S,4R,5R)-5-(4-carbamoyl-5-formamidoimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
• InChIKey: ABCOOORLYAOBOZ-KQYNXXCUSA-N
• INCHI: 1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
• Isomeric SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N
• PubChem CID: 166760
• Molecular Weight: 366.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Imidazole ribonucleosides and ribonucleotides
      • Subclass 1-ribosyl-imidazolecarboxamides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Imidazole ribonucleosides and ribonucleotides
• Subclass: 1-ribosyl-imidazolecarboxamides
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-ribosyl-imidazolecarboxamides
• Alternative Parents: Pentose phosphates Glycosylamines Monosaccharide phosphates 2-heteroaryl carboxamides N-arylamides Carbonylimidazoles Monoalkyl phosphates N-substituted imidazoles Heteroaromatic compounds Tetrahydrofurans Vinylogous amides Primary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides 1,2-diols Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-ribosyl-imidazolecarboxamide - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - N-arylamide - 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - Monoalkyl phosphate - N-substituted imidazole - Organic phosphoric acid derivative - Monosaccharide - Alkyl phosphate - Phosphoric acid ester - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Tetrahydrofuran - Carboxamide group - 1,2-diol - Secondary carboxylic acid amide - Primary carboxylic acid amide - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-ribosyl-imidazolecarboxamides. These are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond.
• External Descriptors: 1-(phosphoribosyl)imidazolecarboxamide

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

Chemical and Physical Properties

• Molecular Weight: 366.220 g/mol
• XLogP3: -4.000
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 366.058 Da
• Monoisotopic Mass: 366.058 Da
• Topological Polar Surface Area: 206.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 530.000
• 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