D-Treitol
PubChem CID: 445969
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| Compound Synonyms | l-Threitol, 2319-57-5, D-TREITOL, (2S,3S)-butane-1,2,3,4-tetrol, L-threo-tetritol, L-Treitol, (2s,3s)-butane-1,2,3,4-tetraol, MFCD00064294, dl-Threitol, L-1,2,3,4-Butanetetrol, L-Threitol, 99%, (2S,3S)-(-)-1,2,3,4-Butanetetrole, SCHEMBL121807, CHEBI:42090, 7493-90-5, BCP28013, HY-W012846A, (2S,3S)-1,2,3,4-Butanetetrol, AKOS015913053, DB03278, FT02806, AS-60216, DB-009756, CS-0133193, NS00068398, T1647, T72117, L-Threitol, >=98.0% (sum of enantiomers, TLC), Q27094202 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 48.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,3S)-butane-1,2,3,4-tetrol |
| Prediction Hob | 1.0 |
| Xlogp | -2.3 |
| Molecular Formula | C4H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UNXHWFMMPAWVPI-IMJSIDKUSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.351 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.889 |
| Compound Name | D-Treitol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 122.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 122.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0435560000000004 |
| Inchi | InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m0/s1 |
| Smiles | C([C@@H]([C@H](CO)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chlamydomonas Reinhardtii (Plant) Rel Props:Source_db:cmaup_ingredients