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CAS No. : | 20398-34-9 | MDL No. : | MFCD00065987 |
Formula : | C10H15N5O10P2.xNa | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | - | Pubchem ID : | - |
Synonyms : |
ADP sodium salt;Adenosine diphosphate sodium salt;ADP Sodium;Adenosine pyrophosphate sodium salt;Adenosine 5′-pyrophosphate sodium salt;Adenosine 5′-diphosphate sodium salt
|
Num. heavy atoms : | 30 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.5 |
Num. rotatable bonds : | 6 |
Num. H-bond acceptors : | 13.0 |
Num. H-bond donors : | 3.0 |
Molar Refractivity : | 79.9 |
TPSA : | 260.71 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -12.59 cm/s |
Log Po/w (iLOGP) : | -57.11 |
Log Po/w (XLOGP3) : | -4.62 |
Log Po/w (WLOGP) : | -0.75 |
Log Po/w (MLOGP) : | -4.15 |
Log Po/w (SILICOS-IT) : | -4.63 |
Consensus Log Po/w : | -14.25 |
Lipinski : | 1.0 |
Ghose : | None |
Veber : | 1.0 |
Egan : | 1.0 |
Muegge : | 3.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | 0.19 |
Solubility : | 759.0 mg/ml ; 1.54 mol/l |
Class : | Highly soluble |
Log S (Ali) : | -0.23 |
Solubility : | 289.0 mg/ml ; 0.586 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | 2.15 |
Solubility : | 69000.0 mg/ml ; 140.0 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 4.63 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |