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Ethyl Glucoside

PubChem CID: 121667

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Compound Synonyms ethyl beta-D-glucopyranoside, Ethyl glucoside, Ethyl D-glucoside, 3198-49-0, ethyl, A-d-glucopyranoside, b-D-Glucopyranoside, ethyl, beta-D-Glucopyranoside, ethyl, AQ51A12T8K, (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol, Glucoside, ethyl, D-, D-Glucopyranoside, ethyl, EINECS 250-112-0, DTXSID601021550, .BETA.-D-GLUCOPYRANOSIDE, ETHYL, 1-O-ETHYL-.BETA.-D-GLUCOPYRANOSIDE, (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 30285-48-4, EINECS 252-122-0, ethylD-glucoside, alpha-ethylglucoside, UNII-AQ51A12T8K, ETHYL GLUCOSIDE [INCI], QSPL 195, SCHEMBL1129153, CHEBI:168338, (-)-Ethyl beta-D-glucopyranoside, DTXCID501506567, HY-N3872, AKOS040760804, 1-O-ETHYL-BETA-D-GLUCOPYRANOSIDE, CS-0024381, C74640, 250-112-0
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 99.4
Hydrogen Bond Donor Count 4.0
Pfizer 3 75 Rule True
Scaffold Graph Level C1CCCCC1
Deep Smiles CCO[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O
Heavy Atom Count 14.0
Classyfire Class Organooxygen compounds
Scaffold Graph Node Level C1CCOCC1
Classyfire Subclass Carbohydrates and carbohydrate conjugates
Isotope Atom Count 0.0
Molecular Complexity 175.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Prediction Hob 1.0
Class Organooxygen compounds
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Xlogp -1.8
Superclass Organic oxygen compounds
Subclass Carbohydrates and carbohydrate conjugates
Gsk 4 400 Rule True
Molecular Formula C8H16O6
Scaffold Graph Node Bond Level C1CCOCC1
Prediction Swissadme 0.0
Inchi Key WYUFTYLVLQZQNH-JAJWTYFOSA-N
Silicos It Class Soluble
Fcsp3 1.0
Logs 0.064
Rotatable Bond Count 3.0
State Solid
Logd -1.767
Synonyms Ethyl β-D-glucopyranoside, Ethyl glucoside, Ethyl glucoside, (beta-D)-isomer, Ethyl glucoside, (D)-isomer, 1-O-Ethyl-β-D-glucopyranoside, 1-O-Ethyl-beta-D-glucopyranoside, Ethyl D-glucopyranoside, Ethyl D-glucoside, Ethyl beta-D-glucopyranoside, ethyl beta-d-glucopyranoside, ethyl glucoside
Esol Class Highly soluble
Functional Groups CO, CO[C@@H](C)OC
Compound Name Ethyl Glucoside
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 208.095
Formal Charge 0.0
Monoisotopic Mass 208.095
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 208.21
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic heteromonocyclic compounds
Lipinski Rule Of 5 True
Esol 0.5034979999999998
Inchi InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8-/m1/s1
Smiles CCO[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
Egan Rule False
Taxonomy Direct Parent O-glycosyl compounds