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| CAS No.: | 51963-61-2 |
|---|---|
| Name: | Adenosine 5'-triphosphate disodium salt |
| Molecular Structure: | |
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|
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| Formula: | C10H16N5O13P3.3H2O.2Na |
| Molecular Weight: | 607.21 |
| Synonyms: | adenosine-5'-triphosphate disodium trihydrate;5'-ATP-Na2;ADENOSINE-5'-TRIPHOSPHATE DISODIUM SALT HYDR.,CALCIUM FREE;Adenosine-5'-triphosphate disodium salt hydrate,water;disodium adenosine 5'-triphosphate trihydrate; |
| EINECS: | 213-579-1 |
| Melting Point: | 176oC |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-36-26 |
| PSA: | 314.22000 |
| LogP: | -0.17140 |
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Specification
1.Introduction of Adenosine 5'-triphosphate disodium salt
The Adenosine 5'-triphosphate disodium salt, with its CAS NO.51963-61-2, is a kind of white crystalline or crystalline powder. It is also called Adenosine-5-triphosphatedisodiumsigmagrade ; Disodiumadenosine5'-triphosphatetrihydrate ; ATP tetrasodium salt ; Adenosine 5'-triphosphate tetrasodium and Adenosine 5'-triphosphate, tetrasodium salt. And it should be stored in shady and cool warehouse and mainly used as a coenzyme medicines in clinical medicine.
2.Properties of Adenosine 5'-triphosphate disodium salt
(1) Melting Point: 176 °C (2) Storage temp.: −20 °C (3) Water Solubility: 50 mg/mL
(4) Appreance: crystalline powder (5) H-Bond Donor: 8 (6) H-Bond Acceptor: 20
(7) Rotatable Bond Count: 8 (8) Tautomer Count: 3 (9) Exact Mass: 604.991328
(10) MonoIsotopic Mass: 604.991328 (11) Topological Polar Surface Area: 288
(12) Heavy Atom Count: 36 (13) Complexity: 789
3.Structure descriptors of Adenosine 5'-triphosphate disodium salt
IUPAC Name: disodium[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl]
hydrogen phosphate trihydrate
InChI: InChI=1S/C10H16N5O13P3.2Na.3H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,
20);;;3*1H2/q;2*+1;;;/p-2
InChIKey: MWEQTWJABOLLOS-UHFFFAOYSA-L
Canonical SMILES : C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)
O.O.O.O.[Na+].[Na+]
4.Safety information of Adenosine 5'-triphosphate disodium salt
Hazard Codes: 
Xi
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
S36: Wear suitable protective clothing
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 3
RTECS: AU7417000