2'-Deoxythymidine-5'-diphosphate trisodium salt - ≥98% , CAS No.95648-78-5

CAS: 95648-78-5 Cat. No.: D122992 Molecular Weight: 468.13 PubChem CID: 16218725

GRADE & PURITY ≥98%

Synonyms

Thymidine 5'-diphosphoric acid trisodium salt|95648-78-5|trisodium;[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate|Sodium ((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)t

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

application：

2'-Deoxythymidine-5'-diphosphate trisodium salt is used as a stable nucleotide useful for PCR and RT-PCR.

Specifications

Synonyms

Thymidine 5'-diphosphoric acid trisodium salt | 95648-78-5 | trisodium;[[(2R, 3S, 5R)-3-hydroxy-5-(5-methyl-2, 4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate | Sodium ((2R, 3S, 5R)-3-hydroxy-5-(5-methyl-2, 4-dioxo-3, 4-dihydropyrimidin-1(2H)-yl)t

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768366
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768366
• Canonical Smiles: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=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] phosphate
• InChIKey: HBYPEEZBYHQLDM-SPSULGLQSA-K
• INCHI: 1S/C10H16N2O11P2.3Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18;;;/h3,6-8,13H,2,4H2,1H3,(H,19,20)(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-])[O-])O.[Na+].[Na+].[Na+]
• PubChem CID: 16218725
• Molecular Weight: 468.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxoanionic compounds
      • Subclass Organic pyrophosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organic oxoanionic compounds
• Subclass: Organic pyrophosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic pyrophosphates
• Alternative Parents: Pyrimidones Monoalkyl phosphates Hydropyrimidines Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Organic pyrophosphate - Pyrimidone - Monoalkyl phosphate - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Heteroaromatic compound - Oxolane - Secondary alcohol - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organic oxide - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.
• 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: heat sensitive
• Molecular Weight: 468.130 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 467.969 Da
• Monoisotopic Mass: 467.969 Da
• Topological Polar Surface Area: 201.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 669.000
• 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

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