Cifostodine - ≥97% , CAS No.633-90-9

CAS: 633-90-9 Cat. No.: C1063158 Formule: C₉H₁₂N₃O₇P Poids moléculaire: 305.180 Numéro CE: EINECS211-198-5

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O
• IUPAC Name: 1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-aminopyrimidin-2-one
• InChIKey: NMPZCCZXCOMSDQ-XVFCMESISA-N
• INCHI: 1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1
• Poids moléculaire: 305.180

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Pyrimidine nucleotides
      • Subclass Cyclic pyrimidine nucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Pyrimidine nucleotides
• Subclass: Cyclic pyrimidine nucleotides
• Intermediate Tree Nodes: Not available
• Direct Parent: 2',3'-cyclic pyrimidine nucleotides
• Alternative Parents: Ribonucleoside 3'-phosphates Pyrimidones Aminopyrimidines and derivatives Organic phosphoric acids and derivatives Monosaccharides Imidolactams Hydropyrimidines Tetrahydrofurans Dioxaphospholanes Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2',3'-cyclic pyrimidine ribonucleotide - Ribonucleoside 3'-phosphate - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Monosaccharide - Organic phosphoric acid derivative - Pyrimidine - Imidolactam - Heteroaromatic compound - Tetrahydrofuran - 1,3_dioxaphospholane - Organoheterocyclic compound - Oxacycle - Azacycle - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Organic nitrogen compound - Primary amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2',3'-cyclic pyrimidine nucleotides. These are pyrimidine nucleotides in which the oxygen atoms linked to the C2 and C3 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group.
• External Descriptors: 2',3'-Cyclic nucleotides

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: 305.180 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 305.041 Da
• Monoisotopic Mass: 305.041 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 550.000
• 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