Butyl D-glucoside
PubChem CID: 11107340
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Butyl D-glucoside, 31387-97-0, D-Glucopyranoside, butyl, EINECS 250-608-7, DTXSID90185315, n-butyl d-glucopyranoside, SCHEMBL93660, DTXCID00107806, BZANQLIRVMZFOS-ZKZCYXTQSA-N, (3R,4S,5S,6R)-2-Butoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 250-608-7 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 200.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,4S,5S,6R)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -0.9 |
| Molecular Formula | C10H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BZANQLIRVMZFOS-ZKZCYXTQSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.087 |
| Rotatable Bond Count | 5.0 |
| Logd | -1.079 |
| Compound Name | Butyl D-glucoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 236.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.3196367999999998 |
| Inchi | InChI=1S/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7-,8+,9-,10?/m1/s1 |
| Smiles | CCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Smilax Glabra (Plant) Rel Props:Source_db:cmaup_ingredients