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CAS No. : | 778571-57-6 | MDL No. : | MFCD16621117 |
Formula : | C8H14MgO10 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | YVJOHOWNFPQSPP-BALCVSAKSA-L |
M.W : | 294.50 | Pubchem ID : | 45489777 |
Synonyms : |
Magnesium L-threonate
|
Chemical Name : | Magnesium (2R,3S)-2,3,4-trihydroxybutanoate |
Num. heavy atoms : | 19 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.75 |
Num. rotatable bonds : | 6 |
Num. H-bond acceptors : | 10.0 |
Num. H-bond donors : | 6.0 |
Molar Refractivity : | 49.31 |
TPSA : | 201.64 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) : | -11.12 cm/s |
Log Po/w (iLOGP) : | -50.61 |
Log Po/w (XLOGP3) : | -4.26 |
Log Po/w (WLOGP) : | -7.1 |
Log Po/w (MLOGP) : | -3.84 |
Log Po/w (SILICOS-IT) : | -1.58 |
Consensus Log Po/w : | -13.48 |
Lipinski : | 1.0 |
Ghose : | None |
Veber : | 1.0 |
Egan : | 1.0 |
Muegge : | 3.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | 1.41 |
Solubility : | 7640.0 mg/ml ; 25.9 mol/l |
Class : | Highly soluble |
Log S (Ali) : | 0.63 |
Solubility : | 1270.0 mg/ml ; 4.31 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | 2.0 |
Solubility : | 29400.0 mg/ml ; 100.0 mol/l |
Class : | Highly soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 3.57 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |
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