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Basic Information
CAS No.: 4578-31-8
Name: Disodium adenosine 5'-phosphate
Molecular Structure:
Molecular Structure of 4578-31-8 (Disodium adenosine 5'-phosphate)
Formula: C10H14N5Na2O7P
Molecular Weight: 391.188
Synonyms: 5'-Adenylicacid, disodium salt (7CI,8CI,9CI);5'-AMP disodium salt;AMP disodium salt;Adenosine 5'-monophosphate disodium;Adenosine 5'-phosphate disodium salt;Adenosine-5'-monophosphate disodium salt;Adenylic acid disodium salt;Disodium5'-AMP;Disodium 9-(b-D-ribofuranosyl)adenine 5'-monophosphate;Disodium AMP;Disodium adenylate;disodium[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate;
EINECS: 224-961-2
Melting Point: 232-235oC
Boiling Point: 798.5 °C at 760 mmHg
Flash Point: 436.7 °C
Solubility: soluble in water
Appearance: White powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25-36-26
PSA: 201.54000
LogP: -0.40540
Synthetic route
58-61-7

adenosine

A

4578-31-8

adenosine-5'-monophosphate disodium salt

B

adenosine-5'-O-(1-thiophosphate)

Conditions
ConditionsYield
Stage #1: adenosine In various solvent(s) at 20 - 100℃; for 0.333333h;
Stage #2: With 2,6-dimethylpyridine; trichlorophosphate In various solvent(s) at 0℃; for 3h;
A 28%
B 48%

adenosine-5'-O-(1-thiophosphate)

A

4578-31-8

adenosine-5'-monophosphate disodium salt

B

(SP)-O-adenosine-5'-O-(1-thiotriphosphate)

C10H13N5O13P3(3-)*3Na(1+)

Conditions
ConditionsYield
With phosphorating extract from S. cerevisiae at 28℃; for 8h;A 8%
B 30.5 mg
C 11%
58-61-7

adenosine

4578-31-8

adenosine-5'-monophosphate disodium salt

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: various solvent(s) / 0.33 h / 20 - 100 °C
1.2: 48 percent / PSCl3; 2,6-lutidine / various solvent(s) / 3 h / 0 °C
2.1: 8 percent / phosphorating extract from S. cerevisiae / 8 h / 28 °C
View Scheme
117576-36-0

Acridin-9-yl-[3-(1,13-dioxa-4,7,10,16,19,22-hexaaza-cyclotetracos-7-yl)-propyl]-amine; hydrochloride

A

4578-31-8

adenosine-5'-monophosphate disodium salt

B

C32H53N8O5P*3H(1+)

Conditions
ConditionsYield
In water; water-d2 at 80℃; Rate constant;

C10H14N6O9P2(2-)*2Na(1+)

4578-31-8

adenosine-5'-monophosphate disodium salt

Conditions
ConditionsYield
With water; zinc(II) cation pH=5.5;
5959-90-0

Diadenosine triphosphate

bovine serum albumine

bovine serum albumine

A

4578-31-8

adenosine-5'-monophosphate disodium salt

B

adenosine 5'-triphosphate disodium salt

C

adenosine 5'-diphosphate, disodium salt

Conditions
ConditionsYield
With diadenosine 5',5'''-P1,P4-tetraphosphate (Ap4A) phosphorylase from Mycobacterium tuberculosis H37Rv at 37℃; for 0.5h; pH=7.6; Kinetics; aq. buffer; Enzymatic reaction;
669055-13-4, 96914-54-4

CoN(C3H6NH2)3(OH2)2(3+)

4578-31-8

adenosine-5'-monophosphate disodium salt

{((tris(aminopropyl)amine)Co)2PO4}(ClO4)3

Conditions
ConditionsYield
In water Kinetics; react. for about 6 h at 25°C;; elem. anal.;100%
4578-31-8

adenosine-5'-monophosphate disodium salt

61-19-8

5'-adenosine monophosphate

Conditions
ConditionsYield
With Dowex 50W×8 resin In water at 20℃; for 0.5h;99%
With Dowex 50WX-8 200 mesh, H+
4578-31-8

adenosine-5'-monophosphate disodium salt

108321-99-9, 150713-51-2

α,β-D-ribofuranose-5-phophate disodium salt

Conditions
ConditionsYield
With Dowex 50 W-X8 (H+ form) In water for 0.141667h; Heating;94%

tetra[μ-acetato-bis(methanol)]dirhodium

4578-31-8

adenosine-5'-monophosphate disodium salt

A

917499-87-7, 29998-99-0

dirhodium tetracetate dihydrate

B

tetrakis-μ-acetato-dirhodium(II) adenosine-5'-monophosphate adduct

Conditions
ConditionsYield
In water slight excess of nucleotide, stirring for 5 h (dissoln.); pptn. on acetone addn.; elem. anal.;A n/a
B 80%
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Specification

The 5'-Adenylic acid,sodium salt (1:2), with the CAS registry number 4578-31-8 and EINECS registry number 224-961-2, has the IUPAC name of disodium[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate. It is a kind of white powder, and belongs to product categories of Pharmaceutical Intermediates and Nucleic acids. And the molecular formula of the chemical is C10H14N5Na2O7P. It is always used in Biochemical research. What's more, it should be stored at -20°C.

The physical properties of 5'-Adenylic acid,sodium salt (1:2) are as followings: (1)ACD/LogP: -0.22; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.51; (4)ACD/LogD (pH 7.4): -4.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 151.1 Å2; (13)Flash Point: 436.7 °C; (14)Enthalpy of Vaporization: 121.77 kJ/mol; (15)Boiling Point: 798.5 °C at 760 mmHg; (16)Vapour Pressure: 6.7E-27 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Do not breathe dust and avoid contacting with skin and eyesWear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]P([O-])(=O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O
(2)InChI: InChI=1/C10H14N5O7P.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
(3)InChIKey: QGXLVXZRPRRCRP-IMCBXCBXBL

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 830mg/kg (830mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 33, Pg. 24, 1974.