2′-Deoxycytidine 5′-monophosphate sodium salt - ≥98% , CAS No.13085-50-2

CAS: 13085-50-2 Cat. No.: D113454 Molecular Weight: 351.16 EC Number: 235-995-2 PubChem CID: 14598613

GRADE & PURITY ≥98%

Synonyms

dCMP | AC-32418 | AKOS015902030 | SCHEMBL15485960 | 2'-Deoxycytidine-5'-monophosphate disodium salt | Sodium ((2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl phosphate | A852112 | HG1130 | 2'deoxycytidine 5'-monophospha

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

dCMP is a widely distributed nucleotide in cells and is one of the important intermediates in DNA synthesis and repair.

Specifications

Synonyms

dCMP | AC-32418 | AKOS015902030 | SCHEMBL15485960 | 2'-Deoxycytidine-5'-monophosphate disodium salt | Sodium ((2R, 3S, 5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl phosphate | A852112 | HG1130 | 2'deoxycytidine 5'-monophospha

Specifications & Purity

≥98%

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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)([O-])[O-])O.[Na+].[Na+]
• IUPAC Name: disodium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
• InChIKey: IJFRULGDDRUYQN-CDNBRZBRSA-L
• INCHI: 1S/C9H14N3O7P.2Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17;;/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17);;/q;2*+1/p-2/t5-,6+,8+;;/m0../s1
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)([O-])[O-])O.[Na+].[Na+]
• WGK Germany: 3
• PubChem CID: 14598613
• Molecular Weight: 351.16

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 Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Alkyl phosphates Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside monophosphate - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Imidolactam - Alkyl phosphate - Oxolane - Heteroaromatic compound - Secondary alcohol - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Amine - Primary amine - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic sodium salt - Organic salt - Organic zwitterion - 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

• Sensitivity: Hygroscopic
• Molecular Weight: 351.160 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 351.021 Da
• Monoisotopic Mass: 351.021 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 490.000
• 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

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