Chemical Name - Gluconic Acid
Mol Weight - 196.154
Smiles - OC[C@H]([C@H]([C@@H]([C@H](C(O)=O)O)O)O)O
Mol Weight - 196.154
Smiles - OC[C@H]([C@H]([C@@H]([C@H](C(O)=O)O)O)O)O
| Property Value | |
| Mol Name | Gluconic Acid |
| Molweight | 196.154 |
| Monoisotopic Mass | 196.058305 |
| Clogp | -3.4954 |
| Clogs | 0.564 |
| H Acceptors | 7 |
| H Donors | 6 |
| Total Surface Area | 133.11 |
| Relative Psa | 0.68845 |
| Polar Surface Area | 138.45 |
| Druglikeness | 2.049 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.61538 |
| Molecular Flexibility | 0.73223 |
| Molecular Complexity | 0.6553 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 7 |
| Electronegative Atoms | 7 |
| Stereo Centers | 4 |
| Rotatable Bonds | 5 |
| Sp3 Atoms | 11 |
| Acidic Oxygens | 1 |
| Smiles | OC[C@H]([C@H]([C@@H]([C@H](C(O)=O)O)O)O)O |
| InChIKey | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1 |
| InChI | RGHNJXZEOKUKBD-SQOUGZDYSA-N |
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1 - Gluconic Acid
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