Chemical Name - Agarose
Mol Weight - 630.547
Smiles - OC[C@H]([C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1O[C@H]1[C@H]([C@@H]2O)OC[C@@H]1O[C@H]2O[C@@H]([C@H]([C@@H](CO)O[C@H]1O[C@H]2[C@H]([C@@H]3O)OC[C@@H]2O[C@H]3O)O)[C@H]1O
Mol Weight - 630.547
Smiles - OC[C@H]([C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1O[C@H]1[C@H]([C@@H]2O)OC[C@@H]1O[C@H]2O[C@@H]([C@H]([C@@H](CO)O[C@H]1O[C@H]2[C@H]([C@@H]3O)OC[C@@H]2O[C@H]3O)O)[C@H]1O
| Property Value | |
| Mol Name | Agarose |
| Molweight | 630.547 |
| Monoisotopic Mass | 630.200735 |
| Clogp | -6.8395 |
| Clogs | 0.189 |
| H Acceptors | 19 |
| H Donors | 10 |
| Total Surface Area | 391.04 |
| Relative Psa | 0.56516 |
| Polar Surface Area | 285.37 |
| Druglikeness | -4.6238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.46512 |
| Molecular Flexibility | 0.24702 |
| Molecular Complexity | 1.0055 |
| Fragments | 1 |
| Non H Atoms | 43 |
| Non Ch Atoms | 19 |
| Electronegative Atoms | 19 |
| Stereo Centers | 20 |
| Rotatable Bonds | 8 |
| Rings Closures | 6 |
| Small Rings | 8 |
| Sp3 Atoms | 43 |
| Smiles | OC[C@H]([C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1O[C@H]1[C@H]([C@@H]2O)OC[C@@H]1O[C@H]2O[C@@H]([C@H]([C@@H](CO)O[C@H]1O[C@H]2[C@H]([C@@H]3O)OC[C@@H]2O[C@H]3O)O)[C@H]1O |
| InChIKey | InChI=1S/C24H38O19/c25-1-5-9(27)11(29)12(30)22(38-5)41-17-8-4-36-20(17)15(33)24(40-8)43-18-10(28)6(2-26)39-23(14(18)32)42-16-7-3-35-19(16)13(31)21(34)37-7/h5-34H,1-4H2/t5-,6-,7+,8+,9-,10-,11-,12-,13+, |
| InChI | MJQHZNBUODTQTK-APYYUYLPSA-N |
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1 - Agarose
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1 - Agarose
2 - Agarose
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