Disodium 2'-deoxy-5'-O-{[(hydroxyphosphinato)oxy]phosphinato}adenosine

Basic Information

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CAS Number

72003-83-9

Molecular Formula

C10H13N5Na2O9P2

Molecular Weight

455.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Insecticides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

No data available

Melting Point

No data available

Boiling Point

No data available

Water Solubility

Soluble in water.

Flash Point

No data available

Vapor Pressure

No data available

SMILES

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C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C10H15N5O9P2.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19;;/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1

InChIKey

QPOQRKUWBIAHBO-OJSHLMAWSA-L

LogP

0.74080

Complexity

597

Safety Information

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GHS Hazard Pictograms

H301

H311

H315

H319

H331

H335

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H331 Toxic if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AS-72523
2'-Deoxyadenosine-5'-diphosphate sodium salt
disodium hydrogen ({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
2 inverted exclamation marka-Deoxyadenosine 5 inverted exclamation marka-di-phos-phate sodium salt
2/'-Deoxyadenosine-5/'-diphosphate disodium salt
MFCD00083610
72003-83-9
EINECS 276-280-5
AKOS016003868
2-Deoxyadenosine-5-diphosphatesodiumsalt
2-Deoxyadenosine-5-diphosphate disodium salt
Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, disodium salt
Sodium((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methylhydrogendiphosphate
disodium;[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate
Sodium ((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl hydrogendiphosphate
2'-Deoxyadenosine 5'-diphosphate sodium salt
2'-Deoxyadenosine 5'-di-phos-phate sodium salt
2'-Deoxyadenosine-5'-diphosphate disodium salt
Disodium 5'-dADP
2′-Deoxyadenosine 5′-di-phos-phate sodium salt
2'-DEOXYADENOSINE-5'-DIPHOSPHATE TRISODIUM SALT
2'-deoxyadenosine 5'-diphosphate sodium
2'-DEOXYADENOSINE 5'-DIPHOSPHATE SODIUM SALT
DADP
dADP,2Na
dADP,3Na
dADP.Na3
Disodium;[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphat
2'-Deoxyadenosine 5'-diphosphate
Deoxyadenosine diphosphate
2'-deoxyadenosine-5'-diphosphate

MDL Number

MFCD00083610

FAQ

What are the physical and chemical properties of Disodium 2'-deoxy-5'-O-{[(hydroxyphosphinato)oxy]phosphinato}adenosine (CAS: 72003-83-9)?

Disodium 2'-deoxy-5'-O-{[(hydroxyphosphinato)oxy]phosphinato}adenosine (CAS: 72003-83-9) is a crystalline compound with a molecular weight of approximately 836.32 g/mol. It is poorly soluble in water and ethanol but soluble in organic solvents like dimethyl sulfoxide (DMSO). This compound exhibits moderate reactivity, particularly in the presence of acids or bases, and is susceptible to hydrolysis.

How is Disodium 2'-deoxy-5'-O-{[(hydroxyphosphinato)oxy]phosphinato}adenosine (CAS: 72003-83-9) typically synthesized?

Disodium 2'-deoxy-5'-O-{[(hydroxyphosphinato)oxy]phosphinato}adenosine is synthesized through a multi-step process involving the condensation of 2'-deoxyadenosine with a phosphite ester. This reaction is typically catalyzed by a metal complex such as palladium(II) acetate. The overall yield is moderate, and the method is known for its high selectivity, ensuring the formation of the desired phosphorothioate derivative.

What industries use Disodium 2'-deoxy-5'-O-{[(hydroxyphosphinato)oxy]phosphinato}adenosine (CAS: 72003-83-9)?

Disodium 2'-deoxy-5'-O-{[(hydroxyphosphinato)oxy]phosphinato}adenosine (CAS: 72003-83-9) finds application in the pharmaceutical industry, particularly in the development of antisense oligonucleotides and phosphorothioate analogs. It is also used in the field of molecular biology for labeling and studying RNA degradation mechanisms.

What precautions should be taken when handling Disodium 2'-deoxy-5'-O-{[(hydroxyphosphinato)oxy]phosphinato}adenosine (CAS: 72003-83-9)?

When handling Disodium 2'-deoxy-5'-O-{[(hydroxyphosphinato)oxy]phosphinato}adenosine (CAS: 72003-83-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Handle the compound in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up with appropriate absorbent material, and proper disposal methods should be followed. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.