Potassium antimonyl d-tartrate
| Common Name: |
Potassium antimonyl d-tartrate |
| IUPAC Name: |
dipotassium;antimony(3+);2,3-dioxidobutanedioate |
| Molecular Formula: |
C8H4K2O12Sb2 |
| SMILES: |
C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].[K+].[K+].[Sb+3].[Sb+3] |
| Inchi: |
1S/2C4H4O6.2K.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;/h2*1-2H,(H,7,8)(H,9,10);;;;/q2*-2;2*+1;2*+3/p-4 |
| Inchi Key: |
GUJUCWZGYWASLH-UHFFFAOYSA-J |
| Cas No: |
64070-11-7 |
| Name |
Value |
| Lipinski Violations |
3 |
| Ghose Violations |
4 |
| Veber Violations |
2 |
| Egan Violations |
1 |
| Muegge Violations |
5 |
| Name |
Value |
| Molecular Weight (g/mol) |
904.99 |
| Mass (g/mol) |
611.705 |
| Molar Refractivity |
209.92 |
| Net Charge |
|
| HBD |
13 |
| HBA |
22 |
| Rt Bonds |
26 |
| Rings |
|
| TPSA |
353.90 |
| Hetero Atoms |
|
| Heavy Atoms |
62 |
| 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 |
0.97 |
| LogP |
|
| iLOGP |
4.50 |
| XLOGP3 |
-1.12 |
| WLOGP |
-3.72 |
| MLOGP |
-5.06 |
| ESOL Log S |
-3.03 |
| ESOL Solubility (mg/ml) |
0.846 |
| ESOL Solubility (mol/l) |
0.001 |
| ESOL Class: esol_class |
Soluble |
| Ali Log S |
-5.82 |
| Ali Solubility (mg/ml) |
0 |
| Ali Solubility (mol/l) |
0 |
| Ali Class |
Moderately soluble |
| Silicos-IT LogSw |
1.88 |
| Silicos-IT Solubility (mg/ml) |
68800 |
| Silicos-IT Solubility (mol/l) |
76 |
| Silicos-IT Class |
Soluble |
| Name |
Value |
| GI Absorption |
Low |
| BBB Permeable |
0 |
| PgP Substrate |
1 |
| Log Kp (cm/s) |
-12.62 |
| Bioavailability Score |
0.17 |
| Caco2 |
0 |
| Human Intestinal Absorption |
1 |
| Plasm Protein Binding |
0.389 |
| CYP1A2 Inhibitor |
0 |
| CYP2C19 Inhibitor |
0 |
| CYP2C9 Inhibitor |
0 |
| CYP2D6 inhibitor |
0 |
| CYP3A4 inhibitor |
0 |
| Ames mutagenesis |
0 |
| Acute Oral Toxicity |
3.5 |
| 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 |
