Cytidine 5′-monophosphate disodium salt - ≥99% , CAS No.6757-06-8

CAS: 6757-06-8 Cat. No.: C102417 Molecular Weight: 367.16 EC Number: 229-819-3

GRADE & PURITY ≥99%

Synonyms

Oxifedrina [INN-Spanish] | CHEBI:87798 | W-104709 | Icarlin II | AKOS015918518 | Cytidine monophosphate disodium salt | sodium ((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl phosphate;CYTIDINE-5'-MONOPHOSPHATE

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Oxifedrina [INN-Spanish] | CHEBI:87798 | W-104709 | Icarlin II | AKOS015918518 | Cytidine monophosphate disodium salt | sodium ((2R, 3S, 4R, 5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3, 4-dihydroxy-tetrahydrofuran-2-yl)methyl phosphate;CYTIDINE-5'-MONOPHOSPHATE

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504756213
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756213
• Canonical Smiles: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=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]methyl phosphate
• InChIKey: INTPYBRGLGSMRA-WFIJOQBCSA-L
• INCHI: 1S/C9H14N3O8P.2Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(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-])[O-])O)O.[Na+].[Na+]
• WGK Germany: 3
• Molecular Weight: 367.16
• Reaxy-Rn: 62241848
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=62241848&ln=

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 monophosphates
• Alternative Parents: Pentose phosphates Glycosylamines Monosaccharide phosphates Aminopyrimidines and derivatives Pyrimidones Alkyl phosphates Hydropyrimidines Imidolactams Tetrahydrofurans Heteroaromatic compounds 1,2-diols Secondary alcohols Oxacyclic compounds Azacyclic compounds Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Primary amines Organic oxides Organic sodium salts
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Monosaccharide - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Imidolactam - Tetrahydrofuran - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Organic alkali metal salt - Organoheterocyclic compound - Azacycle - Oxacycle - Organic sodium salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Organic oxide - Organic nitrogen compound - Primary amine - Organic oxygen compound - Organic zwitterion - Organic salt - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate 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

• Sensitivity: Moisture Sensitive,Heat Sensitive
• Specific Rotation[α]: 8 ° (C=2, H2O)
• Molecular Weight: 367.160 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 367.016 Da
• Monoisotopic Mass: 367.016 Da
• Topological Polar Surface Area: 181.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 520.000
• 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

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3. Quan Li, Zhile Bai, Xingjun Xi, Zhiwei Guo, Cong Liu, Xuerui Liu, Xiaoyan Zhao, Zhiyue Li, Yong Cheng, Yun Wei.  (2020)  Rapid microwave-assisted green synthesis of guanine-derived carbon dots for highly selective detection of Ag+ in aqueous solution.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:33257251] [10.1016/j.saa.2020.119208]

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5. Saira Shams, Waqas Ahmad, Amjad Hussain Memon, Yun Wei, Qipeng Yuan, Hao Liang.  (2019)  Facile synthesis of laccase mimic Cu/H3BTC MOF for efficient dye degradation and detection of phenolic pollutants.  RSC Advances,  9  (70): (40845-40854).  [PMID:35540072] [10.1039/C9RA07473B]

6. Chunfang Li, Shuhui Jiang, Xinying Zhao, Hao Liang.  (2017)  Co-Immobilization of Enzymes and Magnetic Nanoparticles by Metal-Nucleotide Hydrogelnanofibers for Improving Stability and Recycling.  MOLECULES,  22  (1): (179).  [PMID:28125003] [10.3390/molecules22010179]

7. Hao Liang, Feifei Lin, Zijie Zhang, Biwu Liu, Shuhui Jiang, Qipeng Yuan, Juewen Liu.  (2017)  Multicopper Laccase Mimicking Nanozymes with Nucleotides as Ligands.  ACS Applied Materials & Interfaces,      [PMID:28004568] [10.1021/acsami.6b15124]

8. Xuetao Yan, Lifei Chen, Yuze Ren, Kaixuan Cui, Tianliang Li, Lixing Lin, Zeyu Li, Yingying Chen, Zhenzhen Li, Lingyan Feng.  (2026)  Nucleotide-Based White Circularly Polarized Luminescence Materials in Lanthanide Deep Eutectic Solvents.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.5c08455]