Potassium antimony tartrate
| Common Name: |
Potassium antimony tartrate |
| IUPAC Name: |
potassium;antimony(3+);2,3-dihydroxybutanedioate |
| Molecular Formula: |
C8H8KO12Sb |
| SMILES: |
C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.[K+].[Sb+3] |
| Inchi: |
1S/2C4H6O6.K.Sb/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;/q;;+1;+3/p-4 |
| Inchi Key: |
IIQJBVZYLIIMND-UHFFFAOYSA-J |
| Cas No: |
16039-64-8 |
| Name |
Value |
| Lipinski Violations |
1 |
| Ghose Violations |
1 |
| Veber Violations |
1 |
| Egan Violations |
1 |
| Muegge Violations |
3 |
| Name |
Value |
| Molecular Weight (g/mol) |
457.00 |
| Mass (g/mol) |
455.869 |
| Molar Refractivity |
46.65 |
| Net Charge |
|
| HBD |
4 |
| HBA |
12 |
| Rt Bonds |
6 |
| Rings |
|
| TPSA |
241.44 |
| Hetero Atoms |
|
| Heavy Atoms |
22 |
| 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 |
0.50 |
| LogP |
|
| iLOGP |
0.00 |
| XLOGP3 |
-3.77 |
| WLOGP |
-9.58 |
| MLOGP |
-3.92 |
| ESOL Log S |
0.10 |
| ESOL Solubility (mg/ml) |
572 |
| ESOL Solubility (mol/l) |
1.25 |
| ESOL Class: esol_class |
Highly soluble |
| Ali Log S |
-0.71 |
| Ali Solubility (mg/ml) |
89.2 |
| Ali Solubility (mol/l) |
0.2 |
| Ali Class |
Very soluble |
| Silicos-IT LogSw |
2.44 |
| Silicos-IT Solubility (mg/ml) |
127000 |
| Silicos-IT Solubility (mol/l) |
278 |
| Silicos-IT Class |
Soluble |
| Name |
Value |
| GI Absorption |
Low |
| BBB Permeable |
0 |
| PgP Substrate |
1 |
| Log Kp (cm/s) |
-11.76 |
| Bioavailability Score |
0.55 |
| Caco2 |
0 |
| Human Intestinal Absorption |
0 |
| Plasm Protein Binding |
0.452 |
| CYP1A2 Inhibitor |
0 |
| CYP2C19 Inhibitor |
0 |
| CYP2C9 Inhibitor |
0 |
| CYP2D6 inhibitor |
0 |
| CYP3A4 inhibitor |
0 |
| Ames mutagenesis |
0 |
| Acute Oral Toxicity |
3.429 |
| Carcinogenicity (Binary) |
0 |
| Carcinogenicity (Trinary) |
Non-required |
| Eye Irritation |
0 |
| 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 |
