Thymidine 5′-monophosphate disodium salt hydrate - ≥99% , CAS No.33430-62-5

CAS: 33430-62-5 Cat. No.: T169655 Molecular Weight: 366.17 (anhydrous basis) EC Number: 251-518-0 PubChem CID: 153672

GRADE & PURITY ≥99%

Synonyms

dTMP 2Na | 5'-Thymidylic Acid Disodium Salt

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Thymidine 5′-monophosphate de novo synthesis from deoxyuridine monophosphate (dUMP) is catalyzed by the enzyme thymidylate synthase.

Application：
Thymidine 5′-monophosphate disodium salt hydrate has been used as a standard for the quantification of metabolites from plasma and tumor interstitial fluid using liquid chromatography-mass spectrometry analysis (LC/MS).It has also been used as a single deoxy-mononucleotide to test its effect on the cell growth of human malignant intestinal CaCo-2 cells and normal rat intestinal cell line IEC-6 cells.Thymidine 5′-monophosphate disodium salt hydrate has been used as a standard solution.

Specifications

Synonyms

dTMP 2Na | 5'-Thymidylic Acid Disodium Salt

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Deoxyribonucleotide used as a substrate in many molecular biology applications.

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.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504757382
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757382
• Canonical Smiles: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)([O-])[O-])O.[Na+].[Na+]
• IUPAC Name: disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
• InChIKey: AGSQMPPRYZYDFV-ZJWYQBPBSA-L
• INCHI: 1S/C10H15N2O8P.2Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;;/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);;/q;2*+1/p-2/t6-,7+,8+;;/m0../s1
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O.[Na+].[Na+]
• PubChem CID: 153672
• Molecular Weight: 366.17 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Pyrimidine nucleotides
      • Subclass Pyrimidine deoxyribonucleotides
        • Level5 Pyrimidine deoxyribonucleoside monophosphates
          • Level6 Pyrimidine 2'-deoxyribonucleoside monophosphates

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Pyrimidine nucleotides
• Subclass: Pyrimidine deoxyribonucleotides
• Intermediate Tree Nodes: Pyrimidine deoxyribonucleoside monophosphates
• Direct Parent: Pyrimidine 2'-deoxyribonucleoside monophosphates
• Alternative Parents: Pyrimidones Hydropyrimidines Alkyl phosphates Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside monophosphate - Pyrimidone - Alkyl phosphate - Pyrimidine - Phosphoric acid ester - Organic phosphoric acid derivative - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Urea - Secondary alcohol - Lactam - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
• 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.
• Sensitivity: Moisture sensitive；heat sensitive
• Specific Rotation[α]: -8° (C=0.4,H2O)
• Molecular Weight: 366.170 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 366.02 Da
• Monoisotopic Mass: 366.02 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 518.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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. Chujing Yang, Zhiwei Zhang, Jingqi Chen, Xinying Zhang, Yankai Dai, Xuyi Li, Yingying Chen, Jiaqiang Xu, Lingyan Feng.  (2023)  Multiple switchable circularly polarized luminescence from nucleotide/terbium(III) complexes.  NEW JOURNAL OF CHEMISTRY,  47  (9): (4472-4477).  [PMID:] [10.1039/D2NJ06145G]

2. Yating Li, Jason Tan, Yanqin Tu, Jingnan Wu, Zaifang Zhang, Yifeng Wei, Xinan Jiao, Yan Zhou.  (2025)  Distinct Phage-Encoded Enzymes for Substitution of Deoxythymidine by Deoxyuridine in Phage Genomes.  Advanced Science,      [PMID:41001765] [10.1002/advs.202512937]