6-Deoxyglucitol
PubChem CID: 151266
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| Compound Synonyms | 6-Deoxyglucitol, 5624-40-8, (2S,3R,4R,5R)-hexane-1,2,3,4,5-pentol, Glucitol, 6-deoxy-, D-Quinovitol, quinovitol, 6-deoxy-D-glucitol, SCHEMBL600061, CHEBI:166507 |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,3R,4R,5R)-hexane-1,2,3,4,5-pentol |
| Prediction Hob | 1.0 |
| Xlogp | -2.0 |
| Molecular Formula | C6H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SKCKOFZKJLZSFA-JGWLITMVSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.008 |
| Rotatable Bond Count | 4.0 |
| Logd | -2.056 |
| Compound Name | 6-Deoxyglucitol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 166.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.6852273999999998 |
| Inchi | InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4+,5-,6-/m1/s1 |
| Smiles | C[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients