Alternatived Products of [ 1825-00-9 ]
Product Details of [ 1825-00-9 ]
CAS No. : | 1825-00-9 |
MDL No. : | MFCD00047547 |
Formula : |
C6H12O5
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | ZBDGHWFPLXXWRD-AZGQCCRYSA-N |
M.W : |
164.16
|
Pubchem ID : | 102169 |
Synonyms : |
|
Calculated chemistry of [ 1825-00-9 ]
Physicochemical Properties
Num. heavy atoms : |
11 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
3.0 |
Molar Refractivity : |
34.5 |
TPSA : |
79.15 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-9.06 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.26 |
Log Po/w (XLOGP3) : |
-2.48 |
Log Po/w (WLOGP) : |
-1.93 |
Log Po/w (MLOGP) : |
-1.94 |
Log Po/w (SILICOS-IT) : |
-1.29 |
Consensus Log Po/w : |
-1.27 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
0.77 |
Solubility : |
968.0 mg/ml ; 5.9 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
1.36 |
Solubility : |
3760.0 mg/ml ; 22.9 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
1.52 |
Solubility : |
5420.0 mg/ml ; 33.0 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
4.03 |