Butyl Glucoside
PubChem CID: 111068
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| Compound Synonyms | Butyl beta-D-glucopyranoside, 5391-18-4, Butyl b-D-glucopyranoside, butyl glucoside, BUTYL-BETA-D-GLUCOPYRANOSIDE, Beta-D-Glucopyranoside, Butyl, Butyl .beta.-D-glucopyranoside, .beta.-D-Glucopyranoside, butyl, (2R,3R,4S,5S,6R)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol, EINECS 226-387-8, 20TBL42142, DTXSID801021370, N-BUTYL-.BETA.-D-GLUCOPYRANOSIDE, BUTYL .BETA.-D-GLUCOPYRANOSIDE, (-)-, (2R,3R,4S,5S,6R)-2-butoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol, n-butyl beta-D-glucopyranoside, BUTYL GLUCOSIDE [INCI], SCHEMBL2447680, CHEMBL3326716, UNII-20TBL42142, DTXCID901506414, N-BUTYL-BETA-D-GLUCOPYRANOSIDE, MB08363, BS-28551, BUTYL BETA-D-GLUCOPYRANOSIDE, (-)-, NS00081027, Q27894788, (2R,3R,4S,5S,6R)-2-Butoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 226-387-8 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P10253 |
| Iupac Name | (2R,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-HOTMZDKISA-N |
| Fcsp3 | 1.0 |
| Logs | -0.272 |
| Rotatable Bond Count | 5.0 |
| Logd | -1.016 |
| Compound Name | Butyl 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 | CCCCO[C@H]1[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 Piper Retrofractum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all