2'-Deoxyadenosine monohydrate

Base Information

• Chemical Name: 2'-Deoxyadenosine monohydrate
• CAS No.: 16373-93-6
• Molecular Formula: C10H13N5O3^.H2O
• Molecular Weight: 269.26
• Hs Code.: 29349990
• European Community (EC) Number: 683-408-7
• UNII: F79D3BS9UH
• DSSTox Substance ID: DTXSID801036040
• ChEMBL ID: CHEMBL1575575
• Mol file: 16373-93-6.mol

Synonyms:2'-Deoxyadenosine monohydrate;16373-93-6;2'-Deoxyadenosine Hydrate;(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol hydrate;Adenosine, 2'-deoxy-, monohydrate;F79D3BS9UH;2'-dA;Adenosine, 2'-deoxy-, hydrate (1:1);SMR000112273;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;hydrate;9-(2'-Deoxy-beta-D-erythro-pentofuranosyl)adenine;Adenine deoxyriboside;MFCD00149364;Deoxyadenosine Hydrate;deoxyadenosine monohydrate;UNII-F79D3BS9UH;2 inverted exclamation mark -Deoxyadenosine monohydrate;2?-Deoxyadenosine monohydrate;MLS000515799;MLS002695902;SCHEMBL431647;CHEMBL1575575;DTXSID801036040;HMS2269M24;HG1016;s9351;AKOS015898954;AC-8211;CCG-267140;CS-W012399;HY-W011683;9-(2-Deoxy-beta-D-ribofuranosyl)adenine;BP-58685;DS-14579;PD087165;A810506;J-700308;(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol hydrate;(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-olhydrate

Chemical Property of 2'-Deoxyadenosine monohydrate

Chemical Property:

• Appearance/Colour: powder
• Melting Point: 185-187 °C
• Refractive Index: -25.5 ° (C=0.5, H2O)
• Boiling Point: 627.2 °C at 760 mmHg
• Flash Point: 333.1 °C
• PSA: 119.31000
• Density: 1.91g/cm3
• LogP: -0.36960
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble50mg/mL, clear, colorless
• Water Solubility.: 0.3 g/100 mL (20 ºC)
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 269.11240398
• Heavy Atom Count: 19
• Complexity: 307

Purity/Quality:

98% ^*data from raw suppliers

2'-Deoxyadenosine Monohydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-20/21/22
• Safety Statements: 24/25-37/39-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O.O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O.O
• Description: 2'-Deoxyadenosine monohydrate is an adenosine nucleotide, which can be synthesized by the enzyme adenosine kinase. 2'-Deoxyadenosine monohydrate is a competitive inhibitor of phosphodiesterase, which breaks down cyclic nucleotides to their corresponding monophosphate form. This leads to elevated levels of cAMP, which can cause neuronal death by apoptosis.
• Uses: 2'-Deoxyadenosine monohydrate is used in the synthesis of 5'-modified 2'-deoxyadenosine analogues as anti-hepatitis C virus agents. 2'-Deoxyadenosineise is used by some cells as an energy source under energy stress conditions and to affect cAMP levels. 2'-dAdo is used in comparison studies of the functions of adenosine analogues on various biological processes. 2′-Deoxyadenosine monohydrate has been used: as a component for nucleoside supplementationas a standard for to estimate DNA global methylation rate in proliferating oil palm embryogenic suspensionsto reverse sterile alpha motif (SAM) and histidine-aspartate (HD) domain-containing protein (SAMHD1) inhibition of human immunodeficiency virus (HIV-1) and hepatitis B virus (HBV)