Xanthosine 5'-monophosphate disodium salt - ≥97% , CAS No.25899-70-1

CAS: 25899-70-1 Cat. No.: X396359 Peso molecular: 408.17 Número EC: 247-324-0

GRADE & PURITY ≥97%

Synonyms

AKOS028109599 | Xanthosine 5'-monophosphate disodium salt | Xanthosine 5-monophosphate disodium salt | AS-62930 | Xanthosine 5-monophosphate sodium salt | Sodium ((2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosp

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AKOS028109599 | Xanthosine 5'-monophosphate disodium salt | Xanthosine 5-monophosphate disodium salt | AS-62930 | Xanthosine 5-monophosphate sodium salt | Sodium ((2R, 3S, 4R, 5R)-5-(2, 6-dihydroxy-9H-purin-9-yl)-3, 4-dihydroxytetrahydrofuran-2-yl)methyl phosp

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)NC(=O)NC2=O.[Na+].[Na+]
• IUPAC Name: disodium;[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
• InChIKey: QQPVYRBCIRHGSZ-LGVAUZIVSA-L
• INCHI: 1S/C10H13N4O9P.2Na/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17;;/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1
• Isómeros SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)NC(=O)NC2=O.[Na+].[Na+]
• WGK Alemania: 3
• CAS alternativo: 523-98-8
• Peso molecular: 408.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase Purine nucleotides
      • Subclass Purine ribonucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Purine nucleotides
• Subclass: Purine ribonucleotides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine ribonucleoside monophosphates
• Alternative Parents: Pentose phosphates Xanthines Glycosylamines 6-oxopurines Monosaccharide phosphates Alkaloids and derivatives Pyrimidones Alkyl phosphates N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Lactams Ureas Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organic sodium salts Organic zwitterions Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Xanthine - 6-oxopurine - Monosaccharide phosphate - Pentose monosaccharide - Purinone - Imidazopyrimidine - Alkaloid or derivatives - Purine - Pyrimidone - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Vinylogous amide - Azole - Tetrahydrofuran - Heteroaromatic compound - Imidazole - Urea - Secondary alcohol - Lactam - 1,2-diol - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Oxacycle - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic sodium salt - Organic salt - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
• 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

• Sensibilidad: Moisture sensitive
• Peso molecular: 408.170 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 408.006 Da
• Monoisotopic Mass: 408.006 Da
• Topological Polar Surface Area: 198.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 573.000
• 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: 3

XLogP3

Referencias

1. Li-Xin Ma, Xu-Hui Huang, Jie Zheng, Liu Dong, Jia-Nan Chen, Xiu-Ping Dong, Da-Yong Zhou, Bei-Wei Zhu, Lei Qin.  (2021)  Free amino acid, 5′-Nucleotide, and lipid distribution in different tissues of blue mussel (Mytilis edulis L.) determined by mass spectrometry based metabolomics.  FOOD CHEMISTRY,      [PMID:34741971] [10.1016/j.foodchem.2021.131435]