Trisodium 5'-O-[(phosphonatooxy)phosphinato]adenosine

Basic Information

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CAS Number

20398-34-9

Molecular Formula

C10H12N5Na3O10P2

Molecular Weight

493.15 g/mol

Basic Physical Properties

Melting Point

No data available

Boiling Point

877.7°C at 760 mmHg

Density

2.49

Flash Point

No data available

Vapor Pressure

No data available

SMILES

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C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+]

InChI

InChI=1S/C10H15N5O10P2.3Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1

InChIKey

KWEUUBDPVVHQAL-MSQVLRTGSA-K

LogP

0.14980

Complexity

618

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Sensitiveness

对湿度敏感.

Synonyms & References

English

ADP Sodium
DTXSID70942564
trisodium ({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
2092-65-1
xSodium ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl diphosphate
D70158
KWEUUBDPVVHQAL-MSQVLRTGSA-K
adenosine-5'-diphosphate sodium salt
ADP Sodium Salt
trisodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
AS-80599
Adenosine 5'-diphosphate sodium salt
C10H12N5Na3O10P2
Adenosine diphosphate sodium salt
Adenosine-5'-diphosphate trisodium salt
Sodium ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl diphosphate
Adenosine-5-'diphosphate trisodium salt
AKOS022179932
20398-34-9
Adenosine 5′-diphosphate sodium salt
ADENOSINE 5'-DIPHOSPHATE SODIUM
ADENOSINE 5'-DIPHOSPHATE SODIUM FROM &
adenosine 5'-hypophosphate trisodium salt
Adenosine-5'-diphosphate . Na
ADENOSINE-5'-DIPHOSPHATE MONOSODIUM
Adenosine-5'-diphosphate,MonodiuM salt
ADP
Adenosine 5'-diphosphate
Adenosine diphosphate
adenosine pyrophosphate
adenosine-5'-diphosphate

MDL Number

MFCD00150981

FAQ

What are the physical and chemical properties of Trisodium 5'-O-[(phosphonatooxy)phosphinato]adenosine (CAS: 20398-34-9)?

Trisodium 5'-O-[(phosphonatooxy)phosphinato]adenosine (CAS: 20398-34-9) is a crystalline compound with a molecular weight of approximately 467.2 Da. It has a low solubility in water and is moderately soluble in organic solvents. The compound is highly reactive, particularly in acidic conditions. It exhibits good thermal stability and can be used in various applications requiring specific reactivity and stability.

How is Trisodium 5'-O-[(phosphonatooxy)phosphinato]adenosine (CAS: 20398-34-9) typically synthesized?

Trisodium 5'-O-[(phosphonatooxy)phosphinato]adenosine (CAS: 20398-34-9) is synthesized through a multi-step process involving nucleophilic substitution and phosphorolysis reactions. Key synthetic routes include the use of sodium salt of 5'-phosphoribosyl phosphate and a suitable phosphonate. The synthesis typically requires a controlled environment with appropriate catalysts to ensure high yield and selectivity.

What industries use Trisodium 5'-O-[(phosphonatooxy)phosphinato]adenosine (CAS: 20398-34-9)?

Trisodium 5'-O-[(phosphonatooxy)phosphinato]adenosine (CAS: 20398-34-9) finds applications in the pharmaceutical industry for its potential as a therapeutic agent. It is also used in the development of sensors and as a component in certain polymers and semiconductors due to its unique reactivity and stability.

What precautions should be taken when handling Trisodium 5'-O-[(phosphonatooxy)phosphinato]adenosine (CAS: 20398-34-9)?

When handling Trisodium 5'-O-[(phosphonatooxy)phosphinato]adenosine (CAS: 20398-34-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. Work should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) should be consulted for detailed handling procedures.