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5'-Adenylic acid,sodium salt (1:2)(CAS No. 4578-31-8)

5'-Adenylic acid,sodium salt (1:2) C10H14N5Na2O7P (cas 4578-31-8) Molecular Structure

4578-31-8 Structure

Identification and Related Records

【Name】
5'-Adenylic acid,sodium salt (1:2)
【CAS Registry number】
4578-31-8
【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(EC#)】
224-961-2
【Molecular Formula】
C10H14N5Na2O7P (Products with the same molecular formula)
【Molecular Weight】
391.19
【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
【Canonical SMILES】
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]
【Isomers smiles】
C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)
O.[Na+].[Na+]
【MOL File】
4578-31-8.mol

Chemical and Physical Properties

【Appearance】
White powder
【Melting Point】
232-235°C
【Boiling Point】
798.5 °C at 760 mmHg
【Flash Point】
436.7 °C
【Solubilities】
soluble in water
【Storage temp】
?20°C
【Computed Properties】
Molecular Weight:391.184881 [g/mol]
Molecular Formula:C10H12N5Na2O7P
H-Bond Donor:3
H-Bond Acceptor:7
Rotatable Bond Count:3
Tautomer Count:3
Exact Mass:391.026974
MonoIsotopic Mass:391.026974
Topological Polar Surface Area:192
Heavy Atom Count:25
Formal Charge:0
Complexity:469
Isotope Atom Count:0
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:3

Safety and Handling

【Hazard Codes】
Xi
【Risk Statements】
R36/37/38
【Safety Statements 】
S22;S24/25
【Safety】

Hazard Codes:?IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-36-26
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: AU7481600
F: 1-10

【Specification】

?5'-Adenylic acid,sodium salt (1:2) , with CAS number of 4578-31-8, can be called 5’-adenylicacid,disodiumsalt ; adenylicaciddisodiumsalt ; disodium5’-amp ; disodium adenosine 5'-phosphate ; 5'-Adenylic acid sodium salt ; 5-adenylic acid, sodium salt ; 5'-amp 2na ; 5'-amp disodium salt . It is a?white powder.

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