Mol Weight - 162.184
Smiles - CC1(C)OC(CO)C(CO)O1
| Property Name | Property Value |
| Mol Name | (+)-2,3-O-Isopropylidene-L-threitol |
| Molweight | 162.184 |
| Monoisotopic Mass | 162.08921 |
| Clogp | -0.7314 |
| Clogs | -0.682 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 120.15 |
| Relative Psa | 0.38452 |
| Polar Surface Area | 58.92 |
| Druglikeness | -3.0615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.54545 |
| Molecular Flexibility | 0.4048 |
| Molecular Complexity | 0.68024 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Stereo Centers | 2 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 11 |
| Symmetric Atoms | 5 |
| Smiles | CC1(C)OC(CO)C(CO)O1 |
| InChIKey | InChI=1S/C7H14O4/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,8-9H,3-4H2,1-2H3 |
| InChI | INVRLGIKFANLFP-UHFFFAOYSA-N |
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1 — (+)-2,3-O-Isopropylidene-L-threitol | 2 — (+)-2,3-O-Isopropylidene-L-threitol