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

CAS: 95648-78-5 Cat. No.: D122992 Peso molecular: 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

Descripción general

application：

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

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504768366
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768366
• Sonrisas canónicas: 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
• Isómeros 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
• Peso molecular: 468.13

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: heat sensitive
• Peso molecular: 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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