Cytidine-5'-diphosphate disodium salt - ≥98% , CAS No.54394-90-0

CAS: 54394-90-0 Cat. No.: C122988 Molecular Weight: 447.1 PubChem CID: 22803064

GRADE & PURITY ≥98%

Synonyms

Q27895930 | SCHEMBL11616961 | Cytidine 5'-diphosphate disodium | CYTIDINE-5'-DIPHOSPHATE, DISODIUM SALT | cytidine-5'-pyrophosphate disodium salt | F8B9F7OXES | Cytidine 5'-diphosphate disodium salt | Cytidine-5'-diphosphate disodium salt | UNII-F8B9F7OXE

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Cytidine-5'-diphosphate, disodium is used as a substrate of CDP kinase to produce CTP in support ofDNA and RNA biosynthesis and of ribonucleotide reductase to product dCMP.
A substrate for CDP kinase to produce CTP

Specifications

Synonyms

Q27895930 | SCHEMBL11616961 | Cytidine 5'-diphosphate disodium | CYTIDINE-5'-DIPHOSPHATE, DISODIUM SALT | cytidine-5'-pyrophosphate disodium salt | F8B9F7OXES | Cytidine 5'-diphosphate disodium salt | Cytidine-5'-diphosphate disodium salt | UNII-F8B9F7OXE

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504769294
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769294
• Canonical Smiles: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]
• IUPAC Name: disodium;[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate
• InChIKey: ZGDYAAWYYNVXEB-WFIJOQBCSA-L
• INCHI: 1S/C9H15N3O11P2.2Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1
• Isomeric SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]
• PubChem CID: 22803064
• Molecular Weight: 447.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Pyrimidine nucleotides
      • Subclass Pyrimidine ribonucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Pyrimidine nucleotides
• Subclass: Pyrimidine ribonucleotides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine ribonucleoside diphosphates
• Alternative Parents: Pentose phosphates Glycosylamines Monosaccharide phosphates Organic pyrophosphates Pyrimidones Aminopyrimidines and derivatives Alkyl phosphates Hydropyrimidines Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organic zwitterions Hydrocarbon derivatives Primary amines Organic sodium salts Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine ribonucleoside diphosphate - Pentose-5-phosphate - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Monosaccharide phosphate - Organic pyrophosphate - Aminopyrimidine - Pyrimidone - Phosphoric acid ester - Hydropyrimidine - Pyrimidine - Monosaccharide - Imidolactam - Organic phosphoric acid derivative - Alkyl phosphate - Heteroaromatic compound - Oxolane - 1,2-diol - Secondary alcohol - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic sodium salt - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic salt - Organic zwitterion - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water (50 mg/ml - clear solution).
• Sensitivity: Heat &Moisture sensitive
• Molecular Weight: 447.140 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 446.982 Da
• Monoisotopic Mass: 446.982 Da
• Topological Polar Surface Area: 227.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 680.000
• 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

References

1. Yang Tian, Qiuyu Bao, Nian Wang, Ning Wan, Langlang Lv, Haiping Hao, Chaoyong He, Hui Ye.  (2020)  Time-Resolved Acetaldehyde-Based Accessibility Profiling Maps Ligand–Target Interactions.  JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,      [PMID:33382614] [10.1021/jasms.0c00382]

2. Guimei Wang, Xiaoxue Jiang, Nanyan Fu.  (2019)  Near-infrared squaraine fluorescent probe for imaging adenosine 5′-triphosphate in live cells.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2019.107698]