5'-Adenylic acid,sodium salt (1:2)

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: