CAS No.4578-31-8,Disodium adenosine 5'-phosphate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4578-31-8
Name:	Disodium adenosine 5'-phosphate
Article Data:	5

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:	Xi
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

Conditions	Yield
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

Conditions	Yield
With phosphorating extract from S. cerevisiae at 28℃; for 8h;	A 8% B 30.5 mg C 11%

...Expand

: 58-61-7
adenosine

: 4578-31-8
adenosine-5'-monophosphate disodium salt

Conditions

Conditions	Yield
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

: 1172-42-5, 2092-65-1, 16178-48-6, 20398-34-9, 71997-33-6, 71997-36-9, 71997-52-9, 71997-55-2
adenosine diphosphate disodium salt

A: 4578-31-8
adenosine-5'-monophosphate disodium salt

B: C32H53N8O5P*3H(1+)

Conditions

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

...Expand

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

: 4578-31-8
adenosine-5'-monophosphate disodium salt

Conditions

Conditions	Yield
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

Conditions	Yield
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;

...Expand

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

...Expand

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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.