2'-Deoxyadenosine Monohydrate - CAS 16373-93-6
Catalog: |
BB012033 |
Product Name: |
2'-Deoxyadenosine Monohydrate |
CAS: |
16373-93-6 |
Synonyms: |
2'-Deoxy-β-D-adenosine Monohydrate; 9-(2-Deoxy-β-D-erythro-pentofuranosyl)adenine; 9-(2-Deoxy-β-D-erythro-pentofuranosyl)-9H-purin-6-amine Hydrate; Adenine Deoxyribonucleoside Hydrate; Adenine Deoxyribose Hydrate; Adenyldeoxyriboside Hydrate; Deoxyadenosine Hydrate; Desoxyadenosine Hydrate; NSC 141848; NSC 143510; NSC 83258; dA; 1-(6-Amino-9H-purin-9-yl)-1,2-dideoxy-β-D-ribofuranose Hydrate; 2-Deoxyadenine-9-β-D-erythro-pento-furanoside Hydrate |
IUPAC Name: | (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;hydrate |
Description: | 2'-Deoxyadenosine Monohydrate is used in the synthesis of 5'-modified 2'-deoxyadenosine analogues as anti-hepatitis C virus agents. |
Molecular Weight: | 269.26 |
Molecular Formula: | C10H15N5O4 |
Canonical SMILES: | C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O.O |
InChI: | InChI=1S/C10H13N5O3.H2O/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7;/h3-7,16-17H,1-2H2,(H2,11,12,13);1H2/t5-,6+,7+;/m0./s1 |
InChI Key: | WZJWHIMNXWKNTO-VWZUFWLJSA-N |
Boiling Point: | 704.9 °C at 760 mmHg |
Melting Point: | 190-193 °C |
Purity: | 98 % |
Density: | 1.91 g/cm3 |
Solubility: | DMSO (Slightly); Methanol (Slightly) |
Appearance: | White to off-white solid |
Storage: | Store at 2-8 °C (under dark) |
MDL: | MFCD00149364 |
LogP: | -0.36960 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3889602-A1 | Mr1 ligands and pharmaceutical compositions for immunomodulation | 20200330 |
WO-2021144475-A1 | Mr1 ligands and pharmaceutical compositions for immunomodulation | 20200116 |
WO-2021100342-A1 | Anti-8-hydroxy-2'-deoxyguanosine antibody or antibody fragment thereof, production method, kit, measuring method, and device for measurement | 20191122 |
WO-2021041541-A1 | Modified circular rnas and methods of use thereof | 20190828 |
US-2020283726-A1 | Process for continuous cell culture of gpscs | 20171121 |
PMID | Publication Date | Title | Journal |
22378348 | 20120319 | Synthesis of C8-arylamine-modified 2'-deoxyadenosine phosphoramidites and their site-specific incorporation into oligonucleotides | Chembiochem : a European journal of chemical biology |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.11240398 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.11240398 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 120 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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