2'-Deoxythymidine 5'-triphosphate [dTTP] trisodium salt (aqueous) - ≥99%, 100 mM , CAS No.27821-54-1

CAS: 27821-54-1 Cat. No.: D276553 Molecular Weight: 548.11 EC Number: 248-679-4 PubChem CID: 5311491

GRADE & PURITY ≥99%, 100 mM

Synonyms

Thymidine 5'-(trisodium hydrogen triphosphate) | Thymidine 5'-triphosphate sodium salt | 18423-43-3 (non-salt) | Trisodium;[[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosph

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

Thymidine 5'-(trisodium hydrogen triphosphate) | Thymidine 5'-triphosphate sodium salt | 18423-43-3 (non-salt) | Trisodium;[[[(2R, 3S, 5R)-3-hydroxy-5-(5-methyl-2, 4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosph

Specifications & Purity

≥99%, 100 mM

Biochemical and Physiological Mechanisms

Nucleoside triphosphate used in many molecular biology applications such as DNA sequencing, PCR and other DNA polymerase based DNA synthesis and repair techniques.

Storage

Store at -20°C, Desiccated

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

• Canonical Smiles: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;[[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
• InChIKey: KNVJTOALWGZWAI-SPSULGLQSA-K
• INCHI: 1S/C10H17N2O14P3.3Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18);;;/q;3*+1/p-3/t6-,7+,8+;;;/m0.../s1
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]
• Alternate CAS: 365-08-2
• PubChem CID: 5311491
• Molecular Weight: 548.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Pyrimidine nucleotides
• Subclass: Pyrimidine deoxyribonucleotides
• Intermediate Tree Nodes: Pyrimidine deoxyribonucleoside triphosphates
• Direct Parent: Pyrimidine 2'-deoxyribonucleoside triphosphates
• Alternative Parents: Pyrimidones Alkyl phosphates Hydropyrimidines Vinylogous amides Heteroaromatic compounds Oxolanes Lactams Ureas Secondary alcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside triphosphate - Pyrimidone - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Oxolane - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Secondary alcohol - Organoheterocyclic compound - Azacycle - Organic alkali metal salt - Oxacycle - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic sodium salt - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside triphosphates. These are pyrimidine nucleotides with a triphosphate 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: Supplied in water (100 mM)
• Molecular Weight: 548.110 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 547.935 Da
• Monoisotopic Mass: 547.935 Da
• Topological Polar Surface Area: 247.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 834.000
• 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: 4

XLogP3

References

1. Liangliang Wang, Xiufeng Wu, Guanyu Chen, Yawen Chen, Lilan Xu, Jianmin Wang, Jinghua Chen.  (2023)  Dual amplified electrochemical sensing coupling of ternary hybridization-based exosomal microRNA recognition and perchlorate-assisted electrocatalytic cycle.  BIOSENSORS & BIOELECTRONICS,      [PMID:] [10.1016/j.bios.2023.115783]

2. Liang-Liang Wang, Wen-Qian Chen, Yu-Ru Wang, Lu-Peng Zeng, Ting-Ting Chen, Guan-Yu Chen, Jing-Hua Chen.  (2020)  Numerous long single-stranded DNAs produced by dual amplification reactions for electrochemical detection of exosomal microRNAs.  BIOSENSORS & BIOELECTRONICS,      [PMID:32927348] [10.1016/j.bios.2020.112555]

3. Ying Ding, Qingyan Jia, Yongmei Wen, Weimin Liu, Jiechao Ge, Jiasheng Wu, Hongyan Zhang, Pengfei Wang.  (2018)  New detection method for nucleoside triphosphates based on carbon dots: The distance-dependent singlet oxygen trapping.  ANALYTICA CHIMICA ACTA,      [PMID:30119732] [10.1016/j.aca.2018.05.024]