Magnesium hydrogen phosphate trihydrate
| Common Name: |
Magnesium hydrogen phosphate trihydrate |
| IUPAC Name: |
magnesium;hydrogen phosphate;trihydrate |
| Molecular Formula: |
H7MgO7P |
| SMILES: |
O.O.O.OP(=O)([O-])[O-].[Mg+2] |
| Inchi: |
1S/Mg.H3O4P.3H2O/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);3*1H2/q+2;;;;/p-2 |
| Inchi Key: |
OKIWLDVQGKRUNR-UHFFFAOYSA-L |
| Cas No: |
7782-75-4 |
| Name |
Value |
| Lipinski Violations |
3 |
| Ghose Violations |
3 |
| Veber Violations |
1 |
| Egan Violations |
1 |
| Muegge Violations |
5 |
| Name |
Value |
| Molecular Weight (g/mol) |
174.33 |
| Mass (g/mol) |
173.978 |
| Molar Refractivity |
20.34 |
| Net Charge |
|
| HBD |
6 |
| HBA |
12 |
| Rt Bonds |
0 |
| Rings |
|
| TPSA |
120.92 |
| Hetero Atoms |
|
| Heavy Atoms |
9 |
| Aromatic Heavy Atoms |
0 |
| Melting Point (°C) |
|
| Boiling Point (°C@760.00mm Hg) |
|
| Vapor Pressure (mmHg@25.00 °C) |
|
| Vapor Density (Air =1) |
|
| Fraction Csp3 |
0.53 |
| LogP |
|
| iLOGP |
2.82 |
| XLOGP3 |
-1.35 |
| WLOGP |
2.06 |
| MLOGP |
1.05 |
| ESOL Log S |
-3.32 |
| ESOL Solubility (mg/ml) |
0.317 |
| ESOL Solubility (mol/l) |
0 |
| ESOL Class: esol_class |
Soluble |
| Ali Log S |
-2.12 |
| Ali Solubility (mg/ml) |
5.12 |
| Ali Solubility (mol/l) |
0.01 |
| Ali Class |
Soluble |
| Silicos-IT LogSw |
-2.07 |
| Silicos-IT Solubility (mg/ml) |
5.73 |
| Silicos-IT Solubility (mol/l) |
0.01 |
| Silicos-IT Class |
Soluble |
| Name |
Value |
| GI Absorption |
Low |
| BBB Permeable |
0 |
| PgP Substrate |
1 |
| Log Kp (cm/s) |
-11.34 |
| Bioavailability Score |
0.17 |
| Caco2 |
0 |
| Human Intestinal Absorption |
1 |
| Plasm Protein Binding |
0.704 |
| CYP1A2 Inhibitor |
0 |
| CYP2C19 Inhibitor |
0 |
| CYP2C9 Inhibitor |
0 |
| CYP2D6 inhibitor |
0 |
| CYP3A4 inhibitor |
0 |
| Ames mutagenesis |
0 |
| Acute Oral Toxicity |
2.837 |
| Carcinogenicity (Binary) |
0 |
| Carcinogenicity (Trinary) |
Non-required |
| Eye Irritation |
1 |
| Hepatotoxicity |
0 |
| Androgen Receptor Binding |
0 |
| Aromatase Binding |
0 |
| Estrogen Receptor Binding |
0 |
| Glucocorticoid Receptor Binding |
0 |
| Thyroid Receptor Binding |
0 |
| BRCP inhibitor |
0 |
| BSEP inhibitor |
0 |
| OATP1B1 inhibitor |
1 |
| OATP1B3 inhibitor |
1 |
| OATP2B1 inhibitor |
0 |
| OCT1 inhibitor |
0 |
| OCT2 inhibitor |
0 |
