2′-Deoxyguanosine hydrate - ≥99% , CAS No.207121-55-9

CAS: 207121-55-9 Cat. No.: D168464 Molecular Weight: 267.24 (anhydrous basis) PubChem CID: 135445705

GRADE & PURITY ≥99%

Synonyms

LZSCQUCOIRGCEJ-FPKZOZHISA-N | 2`-Deoxyguanosine monohydrate | 2'deoxyguanosine monohydrate | 2'-Deoxyguanosine monohydrate | 2'-deoxyguanosine mono-hydrate | 2-Deoxyguanosine monohydrate | 2-Amino-9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

LZSCQUCOIRGCEJ-FPKZOZHISA-N | 2`-Deoxyguanosine monohydrate | 2'deoxyguanosine monohydrate | 2'-Deoxyguanosine monohydrate | 2'-deoxyguanosine mono-hydrate | 2-Deoxyguanosine monohydrate | 2-Amino-9-((2R, 4S, 5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488202913
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202913
• Canonical Smiles: C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)O.O
• IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;hydrate
• InChIKey: LZSCQUCOIRGCEJ-FPKZOZHISA-N
• INCHI: 1S/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O.O
• WGK Germany: 3
• PubChem CID: 135445705
• Molecular Weight: 267.24 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Purine nucleosides
      • Subclass Purine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Purine nucleosides
• Subclass: Purine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine 2'-deoxyribonucleosides
• Alternative Parents: Hypoxanthines Hydroxypyrimidines Aminopyrimidines and derivatives N-substituted imidazoles Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 2'-deoxyribonucleoside - Hypoxanthine - Imidazopyrimidine - Purine - Aminopyrimidine - Hydroxypyrimidine - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Oxolane - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleosides. These are compounds consisting of a purine linked to a ribose which lacks 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

Associated Targets(Human)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ERG Tbio Transcriptional regulator ERG (5589 Activities)

Discover Target: ERG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: [α]20/D −30°, c = 0.2 in H2O
• Melt Point(°C): >300 °C (dec.) (lit.)
• Molecular Weight: 285.260 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 285.107 Da
• Monoisotopic Mass: 285.107 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 417.000
• 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: 2

XLogP3

References

1. Ji-shuo Chang, Zhong-xiao Lin, Ya-juan Liu, Si-ming Yang, Yu Zhang, Xi-yong Yu.  (2021)  Ultra performance liquid chromatography–tandem mass spectrometry assay for the quantification of RNA and DNA methylation.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:33636646] [10.1016/j.jpba.2021.113969]

2. Mengzhen Jiang, Ruohan Xu, Chunyan Yang, Haili Wang, Jinyuan Cai, Yanrong Wen, Mingfu Ye, Tingxuan Yan, Shuangshou Wang.  (2025)  Boronate affinity-mediated multi-mode visual sensing of cis-diol compounds in both biological and food samples.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2025.137335]