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56-65-5

Name Adenosine triphosphate
CAS 56-65-5
EINECS(EC#) 200-283-2
Molecular Formula C10H16N5O13P3
MDL Number MFCD00065467
Molecular Weight 507.18
MOL File 56-65-5.mol

Chemical Properties

Melting point  144°C (rough estimate)
alpha  D22 -26.7° (c = 3.095)
Boiling point  951.4±75.0 °C(Predicted)
density  1.0 g/mL at 20 °C
storage temp.  −20°C
solubility  Soluble (water), Na and K salts are easily soluble in water, Ba salts are insoluble in water
form  lyophilized powder
pka pK2: 4.00(-1);pK3: 6.48(-2) (25°C)
color  White to off-white
Water Solubility  Water : ≥ 100 mg/mL (197.17 mM)
InChIKey ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES C(OP(=O)(O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2)[C@H](O)[C@@H]1O
LogP -4.180 (est)
CAS DataBase Reference 56-65-5(CAS DataBase Reference)
EPA Substance Registry System 56-65-5(EPA Substance)

Safety Data

Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
Toxicity
dni-hmn:lym 10 mmol/L CNREA8 42,2092,82

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