L(+)-Ascorbic acid
IUPAC NAme: -
CAS Number: 50-81-7
Class: -
Plants contain this compound
2 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 53 |
นมราชสีห์ |
- |
Euphorbia hirta L. |
Euphorbiaceae |
| 75 |
ส้มป่อย |
- |
Acacia concinna (Willd.) DC. |
Leguminosae-Mimosoideae |
| 75 |
ส้มป่อย |
- |
Acacia concinna (Willd.) DC. |
Fabaceae |
2D Structure
Compound Properties
Smile
OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
Physicochemical Properties
| Formula |
C6H8O6 |
| Molecular wieght(g/mol) |
176.12 |
| Num. of Heavy atoms |
12 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.50 |
| Num. of Rotatable bonds |
2 |
| Num. of H-bond acceptors |
6 |
| Num. of H-bonds donors |
4 |
| Molar Refractivity |
35.12 |
| TPSA (square Angstrom) |
107.22 |
Lipophilicity
| iLOGP |
-0.31 |
| XLOGP3 |
-1.64 |
| WLOGP |
-1.41 |
| MLOGP |
-2.60 |
| Silicos-IT LOGP |
-1.15 |
| Consensus LOGP |
-1.42 |
Water Solubility
| ESOL |
|
| LogS |
0.23 |
Solubility(mg/ml) |
3.01E+02 |
Solubility(mol/l) |
1.71E+00 |
Class |
Highly soluble |
| Ali |
|
| LogS |
-0.10 |
Solubility(mg/ml) |
1.40E+02 |
Solubility(mol/l) |
7.93E-01 |
Class |
Very soluble |
| Silicos-IT |
|
| LogS |
1.49 |
Solubility(mg/ml) |
5.46E+03 |
Solubility(mol/l) |
3.10E+01 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
No |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-8.54 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
2 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
1 |
| Bioavailability Score |
0.56 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
1 |
| Synthetic Accessibility |
3.47 |
