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Disodium adenosine 5'-phosphate

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Disodium adenosine 5'-phosphate

EINECS 224-961-2
CAS No. 4578-31-8 Density
Solubility soluble in water Melting Point 232-235oC
Formula C10H14N5Na2O7P Boiling Point 798.5 °C at 760 mmHg
Molecular Weight 391.19 Flash Point 436.7 °C
Transport Information Appearance White powder
Safety 22-24/25-36-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4578-31-8 (5'-Adenylic acid,sodium salt (1:2)) Hazard Symbols IrritantXi
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;

 

Disodium adenosine 5'-phosphate 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.

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