Alternatived Products of [ 66170-10-3 ]
Product Details of [ 66170-10-3 ]
CAS No. : | 66170-10-3 |
MDL No. : | MFCD04038081 |
Formula : |
C6H6Na3O9P
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
322.05
|
Pubchem ID : | - |
Synonyms : |
2-Phospho-L-ascorbic acid trisodium
|
Calculated chemistry of [ 66170-10-3 ]
Physicochemical Properties
Num. heavy atoms : |
19 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.5 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
9.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
40.61 |
TPSA : |
172.05 Ų |
Pharmacokinetics
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) : |
-10.36 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-52.32 |
Log Po/w (XLOGP3) : |
-2.95 |
Log Po/w (WLOGP) : |
-1.11 |
Log Po/w (MLOGP) : |
-3.44 |
Log Po/w (SILICOS-IT) : |
-2.12 |
Consensus Log Po/w : |
-12.39 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.11 |
Water Solubility
Log S (ESOL) : |
0.29 |
Solubility : |
622.0 mg/ml ; 1.93 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
-0.1 |
Solubility : |
254.0 mg/ml ; 0.789 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
2.3 |
Solubility : |
64300.0 mg/ml ; 200.0 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
4.18 |